Electronic Structure: Basic Theory and Practical Methods
Average customer rating: 4 out of 5 stars
  • A Gr8 Book on DFT Concepts
  • Excellent book
  • Not impressive
  • Outstanding
Electronic Structure: Basic Theory and Practical Methods
Richard M. Martin
Manufacturer: Cambridge University Press
ProductGroup: Book
Binding: Hardcover

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ASIN: 0521782856

Book Description

The study of the electronic structure of materials is at a momentous stage, with the emergence of new computational methods and theoretical approaches. This volume provides an introduction to the field and describes its conceptual framework, the capabilities of present methods, limitations, and challenges for the future. Many properties of materials can now be determined directly from the fundamental equations of quantum mechanics, bringing new insights into critical problems in physics, chemistry, and materials science.

Customer Reviews:

4 out of 5 stars A Gr8 Book on DFT Concepts.......2007-07-05

I like this book and would recommend it to any beginner into density functional theory. It explains all the modern electronic structure techniques in a rather simple language. Its much more easier and quicker than going into hundreds of papers and not knowing where to start.

The biggest issue with this book is a rather poor organisational structure to the book. That's why I've given it a 4/5 rating. There are some concepts that have been easily thrown in at the end, into the appendices.. and having to turn pages too frequently can be annoying.

But the good work has been done & I'd ask Mr Martin to re-organise the content.

This book has the potential to be a classic.

5 out of 5 stars Excellent book.......2006-03-21

As a graduate student attempting to learn density functional theory and its use in computer programmes, I have found this book to be an excellent addition to my library. Well structured and written.

2 out of 5 stars Not impressive.......2005-06-30

Although the topics the book embrasses are current and essential for practising chemists, physisists and materials scientists the pedagogic care with which it explains some of the topics is poor.

The author makes the assumption that the reader is familiarized with the heavy mathematical formalism and notation which is commonplace in specialized physics articles but fails to remember that graduate students that don't have a physics background, and come from other schools of thought such as chemistry, biochemistry or materials science, might be target readers.

For instance the book's introduction to Hartree-Fock theory must be the most complicated I've ever seen with constant recourse to Dirac's delta function (without even revealing its presence, stating simply that it should be there). The link between DFT and statistical thermodynamics although interesting is not essential for the heart of the discussion. Some classic program applications like Siesta are presented but you get the feeling that it's just for show off.

All in all if you're a physicist with some years of experience in the field of planewave computation you might find the book interesting.

Otherwise if you're a beginner like me forget it! The book by Efthimios Kaxiras (Atomic and Electronic Structure of Solids) is more revealing and pedagogic and supplies every detail in the mathematical formalism. Some physicists with a more chemical sensitivity such as Harrison, chemists such as Roald Hoffmann, Jeremy Burdett or Michael Springborg or materials scientists like Adrian Sutton or David Pettifor are better suited for the novice.

5 out of 5 stars Outstanding.......2004-07-07

This book was recommended to me to help me in my research, and has turned out to be one of the best recommendations I have ever received. This is a great book; by far the best I have come across on the topic of computing the properties of condensed phase materials by quantum mechanical simulations. Here are the reasons why.

1. The chapters are well laid out and one chapter flows neatly to the next.

2. The math is kept to a minimum; the author makes a point of communicating important principles and ideas in concise sentences without resorting to derivations. This is ideal for engineers like me; who by training do not know that much math as compared to physicists who specialize in the solid state.

3. Important ideas are clarified up front. Many texts will lead the reader through long and windy paths of proofs and logic before arriving at the conclusion; thereby losing their reader in the process. Not here; important points are stated clearly at the beginning and at the end of each section.

4. Compare, contrast, and context. There are many ideas, models, approximations, and theorems that have been developed in the past century related to electronic structure. Many of these are closely related to each other in their inspiration, derivation, practice, and/or applications. This book makes the connections between the different concepts. For a non-expert reading through the electronic structure literature, terms like APW, OPW, PAW, LAPW, LMTO, etc... can be quite confusing if not placed within an overriding context. This book provides that context.

5. Good use of appendices. Electronic structure is a lot like politics; most practicioners in either field did not receive formal educations in the subject, but instead got into it under the apprenticeship of other people. This is reflected by a lot of literature by those who succeeded in the field; most of it good in showing of the authors' achievements, but generally useless in preparing the next generation of practicioners. For electronic structure, this is manifested by the many books that require prior knowledge of quantum, thermo, crystallography, mat sci, etc.. In effect, these books were written by experts to be read by other experts. Not this book. Basic ideas are kept in the text; and specific proofs and derivations are kept in the appendices. The result is a text that is much easier to read than most others.

6. The book is concept driven; not application driven. Most texts in materials simulations are actually a compilation of chapters written independently by multiple authors. Each chapter might be given a general title; but the text will be bias towards the research of its authors. For example, a chapter on surface calculations might focus entirely on adsorption, or relaxation/reconstruction, or optical properties; but surely not touching all these subjects. This book does not do this; each chapter is driven by basic concepts, and one concept leads to the next.

In all, this is a great textbook and a handy reference book. I highly recommend it.
Introduction to Quantum Mechanics with Applications to Chemistry
Average customer rating: 5 out of 5 stars
  • Kind of a disappointment
  • Philosophy: By Socrates, Quantum Chemistry: By Linus Pauling
  • Oldie but goodie
  • Simple with everything
  • Richly historical account of molecular quantum mechanics
Introduction to Quantum Mechanics with Applications to Chemistry
Linus Pauling , and E. Bright Wilson
Manufacturer: Dover Publications
ProductGroup: Book
Binding: Paperback

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  5. The Nature of the Chemical Bond and the Structure of Molecules and Crystals; An Introduction to Modern Structural Chemistry. (George Fisher Baker Non-Resident Lec) The Nature of the Chemical Bond and the Structure of Molecules and Crystals; An Introduction to Modern Structural Chemistry. (George Fisher Baker Non-Resident Lec)

ASIN: 0486648710

Book Description

This widely adopted undergraduate-level text applies quantum mechanics to a broad range of chemical and physical problems, covering such subjects as wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle and the structure of simple and complex molecules. With numerous tables and figures.

Customer Reviews:

3 out of 5 stars Kind of a disappointment.......2007-05-20

This was the fourth qm book I read. I was expecting it to help me make the transition from quantum mechanics to quantum chemistry, but it didn't quiet succeed in doing so. As for QM there exist better books than this (eg Sakurai) and for QChem, I found Szabo's book to be much more better (with less of fundamentals and directly going towards applications)

Regards
Purushottam

5 out of 5 stars Philosophy: By Socrates, Quantum Chemistry: By Linus Pauling.......2004-06-29

How would an "Introduction to Philosophy" by Socrates or a "Basics of the Piano" by Mozart sound like? This is something similar. Linus Pauling, the unprecedented pioneer of the application of Quantum Mechanics to Chemistry, had written this book in the 1930s as perhaps the first introduction to QM for Chemists, supported by his colleague, E Bright Wilson, a brilliant chemist in his own right. A generation of Chemists grew up learning from this book, and its content is as relevant and articulate today as it was then. Hundreds of Quantum Chemistry books, some of which are excellent, have been written in the times since it was first published. But this book still retains an incomparable flavour that brings out the fundamental nature of QM and Chemical Bonding. I have to admit that I found this book slightly difficult, because Pauling and Wilson, although being extremely lucid, never compromise on the Math. But gradually I learnt that this is the kind of book which belongs in the same category of, say, Ernest Eliel's stereochemistry book. That means that every moment you spent on it will be worth it, even if it takes you a very long time to go through it. This is one of those books where every word is carefully thought and then stated, making the journey difficult at places, but always rewarding. And why not. It is hard to imagine anyone else writing with so much confidence on the topic. So it is important not to gloss over this book quickly and then discard it as being dry, but persist in reading it and get insight out of it. The book opens with a discussion of Lagrangian mechanics and discusses some simple examples of its applications. It then moves on to the basic principles of QM, and comes to the Hydrogen molecule, which was the pinnacle of succcess for the Physicists. I think that this book has the best discussion of the H molecule ever written. I have seen other excellent Quantum Chemistry books giving a reference to this work whenever they discuss the H molecule. Moreover, I believe that a thorough understanding of the H molecule is of paramount importance for understanding any further application of QM to Chemistry. Discussion of this molecule opens the door to understanding orbitals, spherical harmonics, angular momentum and all the important concepts in theoretical Chemistry. So the book will score top points for this alone. Later on there are excellent discussions of the Variational Method, Perturbation theory and finally the various important approximations like Hartree-Fock theory and the structure of molecules. The appendices deal with detailed discussions of derivation and some mathematical topics. All in all, a clear and extremely lucid presentation, well worth every moment you can spend on it, by one of the greatest scientists of all time.

5 out of 5 stars Oldie but goodie.......2003-09-12

This is a great, simple presentation of the Schroedinger viewpoint. There is no Dirac representation and no matrix mechanics. However, there is much to be liked about this book and it is a pleasure to read. Those who are baffled completely by quantum mechanics will find this an enlightening introduction and a simple understandable place to start. This is another one of those lesser known gems.

5 out of 5 stars Simple with everything.......2002-12-19

If you are an undergraduate and you want everything you need, this is the book. The lack of matrix mechanics makes this book unsuitable for serious graduate students, though. I think it would actually be best for 1st or 2nd year serious undergraduate chemists who are well acquainted with differential equations.

5 out of 5 stars Richly historical account of molecular quantum mechanics.......2002-06-12

In many ways, this is still my favourite quantum mechanics text. Why? Because the text is completely grounded in the quantum mechanics of atoms and molecules.

Historically, Linus Pauling spent his post-doc working throughout Europe where he absorbed the, then, new theory of quantum mechanics. However, the physicists that he learnt q.m. from only analysed the physics of, relatively simple, atomic systems. It would require someone with an immense breadth of knowledge in chemistry to make quantum mechanics come alive for molecules. This was Linus Pauling. Pauling first applied q.m. to such diverse topics as: the chemical bond, resonance energy, electronegativity, crystal structure of molecules and hydrogen bonds.

And it shows. The uniqueness of this q.m. textbook is that it gives immensely detailed references to the different ways the early physicists/chemists attacked the q.m. of bonds in molecules. Many different ansatz's and approximations to pertubation problems are given. And Pauling should know, for he was right in the thick of it. The historical value of these references alone is worth the price of this book. It's a real shame that most modern books leave these out, because a discussion of these approximations methods give a lot of insight to q.m. in molecules.

In contrast, I find modern textbooks on physical chemistry to be often lacking in deep physical insight. However, textbooks written by physicists run into all sorts of esoteric directions like quantum entanglement and the uncertainty principle and as a previous reviewer noted, Pauling's books says nothing about scattering and hardly anything on spin. This is probably because chemists aren't interested in what happens to particles in beams or Stern-Gerlach experiments. They are more interested in ionisation energy, enthalpies and bond energies.

Nevertheless, for out-and-out modern-day quantum physicists, Pauling's explanation of aspects of quantum mechanics will seem quaint, overly pictorial and concrete, e.g. discussion of *actual* orbits. And it is. However, for chemists and even atomic physicists, pondering such esoteric questions clouds the immense power of quantum mechanics in explaining the detailed properties of atoms and molecules.
Molecular Modelling for Beginners
Average customer rating: 5 out of 5 stars
  • Fantastic Overview of a Very Complex Subject
Molecular Modelling for Beginners
Alan Hinchliffe
Manufacturer: Wiley
ProductGroup: Book
Binding: Hardcover

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ASIN: 0470843098

Book Description

Presenting a concise, basic introduction to modelling and computational chemistry this text includes relevant introductory material to ensure greater accessibility to the subject.

Download Description

Presenting a concise, basic introduction to modelling and computational chemistry this text includes relevant introductory material to ensure greater accessibility to the subject. Provides a comprehensive introduction to this evolving and developing field Focuses on MM, MC, and MD with an entire chapter devoted to QSAR and Discovery Chemistry. Includes many real chemical applications combined with worked problems and solutions provided in each chapter Ensures that up-to-date treatment of a variety of chemical modeling techniques are introduced.

Customer Reviews:

5 out of 5 stars Fantastic Overview of a Very Complex Subject.......2006-04-30

I found this book to be really informative. I was looking for something to help decipher the scientific literature around molecular dynamics and protein folding and this book fit the bill perfectly.

The only other comment I have is that the 'for beginners' part of the title may be a little misleading. Someone approaching this book should have a backround in organic chemistry, physics, and some solid math (linear algebra and multivariate calculus) to really enjoy it.
Molecular Quantum Mechanics
Average customer rating: 4.5 out of 5 stars
  • Not as good as Physical Chemistry
  • Formidable
  • Quantum Mechanics in Chemistry
  • Beautiful, useful, without equal.
  • A very informative text
Molecular Quantum Mechanics
P. W. Atkins , and R. S. Friedman
Manufacturer: Oxford University Press, USA
ProductGroup: Book
Binding: Paperback

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ASIN: 019855947X

Book Description

Molecular Quantum Mechanics, an accessible introduction to the foundations of quantum chemistry, established itself as a classic as soon as the original best-selling edition appeared. This new third edition will ensure its place is maintained in the forefront of its field. Entirely rewritten to present the subject more clearly than ever before, this new edition includes two completely new chapters - one on computational techniques in quantum chemistry, and another on scattering theory. Most of the material on the calculations of electronic structure is entirely new, and the discussions in the second edition have been enhanced with more mathematical rigour. With 330 two-colour illustrations, numerous worked examples, in-text exercises, an extensive further information section, and a wide range of applications treated consistently, this will surely prove to be an invaluable book for all senior chemistry undergraduates.

Customer Reviews:

2 out of 5 stars Not as good as Physical Chemistry.......2006-09-19

Okay, I'll admit that my background in quantum chemistry is pretty sketchy. However I feel much more lost than usual in this book when it comes to understanding the phenomena that they're trying to model. The problems at the back and the solutions that come with the 3rd edition of this book are even worse as he jumps around alot and don't teach you how to think about problems, just random ways of solving it. I guess this is an intermediate quantum course but I feel safer with Levine, which I used in undergrad physical chemistry. He/she (not sure if Ira is a guy) at least goes through the math so that you can follow it pretty easily. Atkins... Not my cup of tea!

4 out of 5 stars Formidable.......2001-12-28

I have always had a reverence for quantum mechanics, but now I have dread. Dread that sometimes manifests in awe, but most of the times, grows from confusion, thanks to the heap of frustration from quantum mechanics.

I gave the book 4 stars to avoid my biased review doing the injustice to the authors as a result of my own folly, but I must admit that I cannot understand the authors past the chapter on angular momentum (Chapter 4), albeit their breathless enthusiasm to impart the wonder of quantum mechanics to the reader. Probably a formalistic approach that Atkins and Friedman told us they took to present the book hampers my progress. A whole page of obscure subscripts wouldn't seem to help much either.

The first three chapter took the familiar analytical route, giving way to the intuition to supply insight and inspire the heart during times of imminent failure, yet the introduction of the quantum mechanical concept of angular momentum by the supposedly clever arguments of subscript manipulation went over my head. And this marks the end of my struggle, for after that I am just a regular mechanic.

The humor in this assumedly humorless subject seems to alleviate the pain a bit. (It should strongly be reminded that such humor should only be reserved for the geeky lot, for those college kids are probably too cool to appreciate a joke from, ugh, quantum mechanics.)

The book is perhaps too inclined to chemistry (hence Molecular Quantum Mechanics). A considerable amount of mathematical maturity is needed (not necessarily mathematical knowledge), and a readiness to leave your intuition bewildered.

4 out of 5 stars Quantum Mechanics in Chemistry.......2000-09-15

I cannot say that this is a strict quantum mechanics text that would be used for a quantum physics course, for the absence of core idea like operator mechanics, ladder operators and the such. Yet "Molecular Quantum Mechanics" definitely shines and has proven itself to be a much better (in details, explanations, readability) text than "Physical Chemistry" written by the same author.

"Molecular Quantum Mechanics" focuses on aspects of quantum mechanics in chemistry, especially in applications on spectroscopy (infrared and Raman) which roots in the ideas of rotation, vibration, anharmonicity, and centrifugal distortion. It also discusses advanced topics like nonlinear spectroscopy and computational chemistry. The book is written in thorough details and a very organized manner. I recommend "Molecular Quantum Mechanics" along with McQuarrie's "Physical Chemistry: Molecular Appraoch" for anyone who would like to learn about quantum chemistry.

5 out of 5 stars Beautiful, useful, without equal........1999-10-10

In the third edition of MQM a new standard of science text writing has been achieved. Marvellous in and of itself and extremely useful as an intermediate level text for anyone interested in quantum chemistry. A must for any desert island.

5 out of 5 stars A very informative text.......1998-06-18

I recommend this book for anyone interested in intermediate level quantum chemistry. It provides very detailed information which has been very useful to me personally. It presents the material in a logical order and includes many detailed diagrams. You won't regret buying this one.
Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics
Average customer rating: 4 out of 5 stars
  • Very good first intro to computational chemistry
  • Rough reading
Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics
Errol G. Lewars
Manufacturer: Springer
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Binding: Paperback

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ASIN: 1402074220

Book Description

Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists.
Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment.
The following concepts are illustrated and their possibilities and limitations are given:

- potential energy surfaces;
- simple and extended Hückel methods;
- ab initio, AM1 and related semiempirical methods;
- density functional theory (DFT).

Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.

Customer Reviews:

5 out of 5 stars Very good first intro to computational chemistry.......2004-08-28

The only other book I can compare this to is Cramer's, and this one is better suited to a first introduction into computatioal chemistry. I have taken one graduate quantum chemistry course, and this was more than enough background for understanding this book. This is the only text I know of (I asked my comp chem prof if he knew of any others) that walks through a Hartree Fock calculation step by step using an example. There are some mistakes in the formulas, but they are quite minor. All in all, I would recommend this book to anybody interested in beginning to learn about computational chemistry.

3 out of 5 stars Rough reading.......2004-05-12

Maybe there just isn't any way into the basics of modern computational chemistry.

Lewars introduces the easy parts in a clear enough way. Potential energy surfaces make sense. Molecular mechanics has a good, intuitive feel - it's the springs-and-balls model, elaborated to include plane and dihedral angles, representing force fields derived from other sources.

After that (i.e., after p. 80), it's quantum mechanics for a few hundred pages. The premise is that the layout of electrons across a molecule determines its chemistry, and that the wave function tells where the electrons will be. Since the wave equations can't be solved exactly for anything with two or more electrons (!), it's actually approximations to quantum. That leads to two levels of opacity: quantum itself, and all the facts that were scraped off in the approximation process. At this point, the chice is binary: become fluent in quantum, or move on. There are a few nuggets to be had for the non-fluent, including some of the techniques for solving these horrendous integrals. Mostly, though, I moved on.

After the "ab initio" quantum mechanical methods, Lewars presents the semi-empirical models. These deal with simplified models of wave functions. Unlike ab initio methods, which stand on almost purely theoretical models, semi-empirical methods are informed by experimental data. They are based on the electron wave functions, as are the ab initio methods, but use approximations calibrated by experimental results. The book's final section presents density functional theory (DFT), another technique for estimating where the electrons will be.

This book demands a lot of the reader, more than I came in with or had time to develop. I was able to use it to get a working vocabulary of the major kinds of computations, the general categories of approach to modeling, and a rough idea of the techniques and complexities involved. I need a little more information than that, but not the immediate leap into the deep end presented here.

I look forward to a review by someone more knowledgeable. For now, my only real criticism of this book is lack of glossary. Initialisms and acronyms abound. It would have made the going a lot easier if the book had one place where I could refresh my memory on the dozens or hundreds of abbreviations.
Atoms in Molecules: A Quantum Theory (The International Series of Monographs on Chemistry, No 22)
Average customer rating: 5 out of 5 stars
  • A Beautiful Way to Understand Chemistry
Atoms in Molecules: A Quantum Theory (The International Series of Monographs on Chemistry, No 22)
Richard F. W. Bader
Manufacturer: Oxford University Press, USA
ProductGroup: Book
Binding: Paperback

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ASIN: 0198558651

Book Description

The molecular structure hypothesis - that a molecule is a collection of atoms linked by a network of bonds - was forged in the crucible of nineteenth century experimental chemistry and has continued to serve as the principal means of ordering and classifying the observations of chemistry. There is a difficulty with the hypothesis, however, in that it is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds. It is the purpose of this important book - now available in paperback for the first time - to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules. The book is aimed at those scientists responsible for performing the experiments and collecting the observations on the properties of matter at the atomic level, in the belief that the transformation of qualitative concepts into a qualitative theory will serve to deepen our understanding of chemistry.

Customer Reviews:

5 out of 5 stars A Beautiful Way to Understand Chemistry.......1997-09-17

The science of chemistry had always eluded me until I found this book. The author, Richard Bader, has, using computer graphics, quantum mechanics, and catastrophe theory created an approach to chemistry that is simultaneously rigorous, accurate, and, most importantly, understandable.

Anyone with an elementary knowledge of physics and mathematics can read this book and come away with a true understanding of chemical physics. Using the techniques pioneered by Bader and his students and colleagues, one can literally see the stability and reactivity properties of any molecule. And this is just the beginning.

Laboring "against the dominant paradigms" for years, Bader's theories are now gaining wide acceptance as a new crop of younger, more graphics-oriented computational chemists are entering the workforce. Hardly an issue of any journal in chemical physics now gets published wthout at least one article citing this book. Indeed, Richard Bader has become the most-cited physical scientist in Canada.

This is becoming the way to undertstand molecules, and I believe, over the next years, will become the way that theoretical chemistry is taught.
Quantum Mechanics in Chemistry
Average customer rating: 5 out of 5 stars
  • The best book even if it wasn't such a good deal
  • Great for those with some background
Quantum Mechanics in Chemistry
George C. Schatz , and Mark A. Ratner
Manufacturer: Dover Publications
ProductGroup: Book
Binding: Paperback

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  1. Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory
  2. Handbook of Computational Quantum Chemistry Handbook of Computational Quantum Chemistry
  3. Mathematics for Quantum Chemistry Mathematics for Quantum Chemistry
  4. Introduction to Quantum Mechanics with Applications to Chemistry Introduction to Quantum Mechanics with Applications to Chemistry
  5. Quantum Chemistry: The Development of Ab Initio Methods in Molecular Electronic Structure Theory Quantum Chemistry: The Development of Ab Initio Methods in Molecular Electronic Structure Theory

ASIN: 0486420035

Book Description

Advanced graduate-level text looks at symmetry, rotations, and angular momentum addition; introduces basic formalism of time-dependent quantum mechanics and occupation number representations; focuses on scattering theory; uses its concepts to develop basic theories of chemical reaction rates, and more. Problems appear at end of each chapter; solutions included.

Customer Reviews:

5 out of 5 stars The best book even if it wasn't such a good deal.......2007-04-03

I bought this book to review for PhD candidacy exams and look back on it once every six months for reference. This book explains in a very clear way the most fundamental concepts in theoretical chemistry, particularly dynamics. It touches very little on quantum chemistry, ie electronic structure theory, as there are many other books on that topic available already. The coverage of Fermi's golden rule and response theory is very accessible.

Even at $50, this would be the best money one could spend on a graduate level textbook on quantum dynamics. I can't imagine someone in the field not finding this book useful at almost any stage of their career.

5 out of 5 stars Great for those with some background.......2002-11-21

A great book for chemistry students (advanced undergraduate or graduate) who have a thorough understanding of the basics of quantum mechanics. The book begins with a quick review and quickly goes into methods and theory that are of interest to chemists i.e, many electron and molecular techniques. They also provide a nice collection of problems...with solutions! It is a very clearly written and well thought out book...highly recommended. For those who need a more elementary approach, check out "Introduction to Quantum Mechanics in Chemistry" by the same authors.
Relativistic Quantum Theory of Atoms and Molecules (Springer Series on Atomic, Optical, and Plasma Physics)
Average customer rating: Not rated
    Relativistic Quantum Theory of Atoms and Molecules (Springer Series on Atomic, Optical, and Plasma Physics)
    I.P. Grant
    Manufacturer: Springer
    ProductGroup: Book
    Binding: Hardcover

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    1. Introduction to Relativistic Quantum Chemistry Introduction to Relativistic Quantum Chemistry

    ASIN: 0387346716

    Product Description

    Relativistic quantum electrodynamics, which describes the electromagnetic interactions of electrons and atomic nuclei, provides the basis for modeling the electronic structure of atoms, molecules and solids and of their interactions with photons and other projectiles. The theory underlying the widely used GRASP relativistic atomic structure program, the DARC electron-atom scattering code and the new BERTHA relativistic molecular structure program is presented in depth, together with computational aspects relevant to practical calculations. Along with an understanding of the physics and mathematics, the reader will gain some idea of how to use these programs to predict energy levels, ionization energies, electron affinities, transition probabilities, hyperfine effects and other properties of atoms and molecules.

    Intended for Physicists and Chemists who need to understand the theory of atomic and molecular structure and processes, and who wish to apply the theory to practical problems. As far as practicable, the book will provide a self-contained account of the theory of relativistic atomic and molecular structure, based on the accepted formalism of bound-state Quantum Electrodynamics. The theory will be based securely on rigorous mathematical and numerical analysis. Those more interested in applications than in understanding the models in depth will be able to skip much of the mathematical material. The algorithms used in several software packages -- for atomic structures, for electron-atom scattering and photoionisation and for relativistic atomic and molecular structures -- will be presented, together with an outline of the scope and use of each. The software packeges themselves will be included on a CD. Many applications of relativistic atomic and molecular structure theory use model potentials, self-consistent fields, or density- functional methods, supplemented by some form of many-body perturbation theory or coupled-cluster method for improved accurac
    Quanta: A Handbook of Concepts
    Average customer rating: 4.5 out of 5 stars
    • Pictorial Quantum Mechanics!
    • A Good Glossary for Studying Atomic and Quantum Physics
    • Best Quantum reference book I've seen
    Quanta: A Handbook of Concepts
    P. W. Atkins
    Manufacturer: Oxford University Press, USA
    ProductGroup: Book
    Binding: Paperback

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    ASIN: 0198555733

    Book Description

    Quanta provides a non-mathematical and highly visual account of the concepts of quantum mechanics widely encountered in chemistry and related disciplines. Entries - ordered alphabetically - range in length from one paragraph to several pages, and describe the physical significance of each topic with simplicity and precision. Each entry is extensively cross-referenced and ends with a guide to sources of further information. This exciting new work continues the tradition of the first edition, which quickly established itself among students and teachers as a rich source of clear, concise explanations of quantum concepts. The text has been completely rewritten: all topics have been brought up to date, and there are many more illustrations and numerous new entries. The book will be invaluable to students for its brief non-mathematical summaries of key concepts, to instructors as a source of explanations, illustrations, and references, and to all practising scientists searching for an interesting, accessible account of any aspect of quantum chemistry.

    Customer Reviews:

    5 out of 5 stars Pictorial Quantum Mechanics!.......2004-11-20

    I have both editions of this wonderful book. I love them.

    An alphabetized glossary of quantum-mechanical terms, each with its own quite unique diagram.

    Dr. P. W. Atkins explain Molecular Quantum Mechanics succinctly. He relates this arcane art to the wold of molecules maing it refresingly real.

    Buy it, I promise you will treasure it.

    --Daniel Tebar [Quantum Evangelist -crucified]

    4 out of 5 stars A Good Glossary for Studying Atomic and Quantum Physics.......2000-04-01

    Atkins has written an alternative approach to revealing quantum physics, using no math, pictorial representations, and concise explanations, while still containing the common equations and formulas (in easy referenced boxed figures); he has offered a fresh text, in the style of a dictioanry, which is a good reference for a student and a practical handbook for the practitioner or teacher. This is a good (and much needed) addition to the pedagogy in the field. But, it could have been even better if; it had more material on Nuclear and Solid State physics, substituted the questions (found after each definition) for examples and/or worked out problems, and included a quick refernce by catagory.

    5 out of 5 stars Best Quantum reference book I've seen.......2000-04-01

    I am a physics graduate student and I constantly read quantum physics books as this is my prefered field. For this reason I need quantum reference books for those hard-to-grasp concepts. I recently bought Quanta: a handbook of concetps from P.W. Atkins and let me tell you this one is the best. This book explains with simple words how most things work in the quantum world without having to resort to complex mathematical equations and in a very visual way. In comparasion to Q is for Quantum from John Gribin, this book is way much better. I strongly recomend it. wrhernandez@hotmail.com
    Introductory Statistical Mechanics
    Average customer rating: 4 out of 5 stars
    • Great introduction to statistical mechanics
    Introductory Statistical Mechanics
    Roger Bowley , and Mariana Sanchez
    Manufacturer: Oxford University Press, USA
    ProductGroup: Book
    Binding: Paperback

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    1. Introduction to Solid State Physics Introduction to Solid State Physics
    2. Introduction to Modern Statistical Mechanics Introduction to Modern Statistical Mechanics
    3. Fundamentals of Statistical and Thermal Physics (McGraw-Hill Series in Fundamentals of Physics) Fundamentals of Statistical and Thermal Physics (McGraw-Hill Series in Fundamentals of Physics)
    4. Solutions Manual for Introduction to Modern Statistical Mechanics Solutions Manual for Introduction to Modern Statistical Mechanics
    5. Problems and Solutions on Thermodynamics and Statistical Mechanics (Major American Universities Ph.D. Qualifying Questions and Solutions) Problems and Solutions on Thermodynamics and Statistical Mechanics (Major American Universities Ph.D. Qualifying Questions and Solutions)

    ASIN: 0198505760

    Book Description

    This book explains the ideas and techniques of statistical mechanics-the theory of condensed matter-in a simple and progressive way. The text starts with the laws of thermodynamics and simple ideas of quantum mechanics. The conceptual ideas underlying the subject are explained carefully; the mathematical ideas are developed in parallel to give a coherent overall view. The text is illustrated with examples not just from solid state physics, but also from recent theories of radiation from black holes and recent data on the background radiation from the Cosmic background explorer. In this second edition, slightly more advanced material on statistical mechanics is introduced, material which students should meet in an undergraduate course. As a result the new edition contains three more chapters on phase transitions at an appropriate level for an undergraduate student. There are plenty of problems at the end of each chapter, and brief model answers are provided for odd-numbered problems. From reviews of the first edition: '...Introductory Statistical Mechanics is clear and crisp and takes advantage of the best parts of the many approaches to the subject' Physics Today

    Customer Reviews:

    4 out of 5 stars Great introduction to statistical mechanics.......2003-05-09

    I recommend this book to anyone who is taking an undergraduate course in stat mech. I also recommend it to beginning GRADUATE students of stat mech. I used it for my own graduate coursework and I found it to be extremely helpful.

    This book provides a clean, uncluttered presentation of the principles of stat mech; does not lose sight of the physical reasons behind the mathematical manipulations; and most helpful of all, contains a good set of problems WITH SOLUTIONS! It has been more helpful to me in my graduate work than any graduate-level book!

    In a next edition, maybe the authors can include a gentle introduction to the new renormalization group theory of phase transitions, and also increase the number and depth of problems.

    If you plan on studying stat mech, get this book.

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