Best Quantum Chemistry Books
Here you will get Best Quantum Chemistry Books For you.This is an up-to-date list of recommended books.
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3. Quantum Chemistry
Author: by Donald A. McQuarrie
University Science Books
After twenty-four years in print, Don McQuarrie has now updated his landmark “Quantum Chemistry”. Perhaps the biggest change in the years since the first edition is the proliferation of computational chemistry programs that calculate molecular properties. McQuarrie has presented step-by-step SCF calculations of a helium atom in Chapter 9 and a hydrogen molecule in Chapter 10, in addition to including an entire chapter on the Hartree-Fock method and post-Hartree-Fock methods for the calculation of molecular properties.
The book also uses problems to encourage the use of an invaluable National Institute of Science and Technology (NIST) website that lists experimental data and the results of various ab initio calculations for hundreds of molecules.
4. Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Dover Books on Chemistry)
Author: by Attila Szabo
The aim of this graduate-level textbook is to present and explain, at other than a superficial level, modem ab initio approaches to the calculation of the electronic structure and properties of molecules. The first three chapters contain introductory material culminating in a thorough discussion of the Hartree-Fock approximation.
The remaining four chapters describe a variety of more sophisticated approaches, which improve upon this approximation. Among the highlights of the seven chapters are (1) a review of the mathematics (mostly matrix algebra) required for the rest of the book, (2) an introduction to the basic techniques, ideas, and notations of quantum chemistry, (3) a thorough discussion of the Hartree-Fock approximation, (4) a treatment of configuration interaction (Cl) and approaches incorporating electron correlation, (5) a description of the independent electron pair approximation and a variety of more sophisticated approaches that incorporate coupling between pairs, (6) a consideration of the perturbative approach to the calculation of the correlation energy of many-electron systems and (7) a brief introduction to the use of the one-particle many-body Green’s function in quantum chemistry.
5. Discovering Chemistry With Natural Bond Orbitals
Author: by Frank Weinhold
This book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It offers the first book on conceptual quantum chemistry, a key area for understanding chemical principles and predicting chemical properties. It presents NBO mathematical algorithms embedded in a well-tested and widely used computer program (currently, NBO 5.9).
While encouraging a “look under the hood” (Appendix A), this book mainly enables students to gain proficiency in using the NBO program to re-express complex wavefunctions in terms of intuitive chemical concepts and orbital imagery.
6. Problems and Solutions for Mcquarrie's Quantum Chemistry
Author: by Helen O. Leung
University Science Books
This Solutions Manual accompanies the second edition of Donald McQuarrie s Quantum Chemistry. It contains each of the more than 700 problems in the text, followed by a detailed solution. Written by chemistry faculty members Helen O.Leung and Mark D.
Marshall, both of Amherst College, in conjunction with Prof. McQuarrie, each solution combines the clarity the authors use in teaching the same material in their own classrooms with the rigor appropriate to learning and appreciating an introduction to quantum chemistry.
Both Helen Leung and Mark Marshall are recipients of the Henry Dreyfus Teacher-Scholar Award. They bring to the manual the insight gained from years of using quantum mechanics as spectroscopists with active research programs along with strong, effective pedagogy.
7. Molecular Quantum Mechanics
Author: by Peter W. Atkins
Oxford University Press
Quantum mechanics embraces the behavior of all known forms of matter, including the atoms and molecules from which we, and all living organisms, are composed. Molecular Quantum Mechanics leads us through this absorbing yet challenging subject, exploring the fundamental physical principles thatexplain how all matter behaves.
With the clarity of exposition and extensive learning features that have established the book as a leading text in the field, Molecular Quantum Mechanics takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussionsof spectroscopy, and the electronic and magnetic properties of molecules.
Lucid explanations and illuminating artworks help to visualise the many abstract concepts upon which the subject is built. Fully updated to reflect the latest advances in computational techniques, and enhanced with more mathematical support and worked examples than ever before, Molecular Quantum Mechanics remains the ultimate resource for those wishing to master this important subject.
8. Quantum Mind and Social Science: Unifying Physical and Social Ontology
Author: by Alexander Wendt
There is an underlying assumption in the social sciences that consciousness and social life are ultimately classical physical/material phenomena. In this ground-breaking book, Alexander Wendt challenges this assumption by proposing that consciousness is, in fact, a macroscopic quantum mechanical phenomenon.
In the first half of the book, Wendt justifies the insertion of quantum theory into social scientific debates, introduces social scientists to quantum theory and the philosophical controversy about its interpretation, and then defends the quantum consciousness hypothesis against the orthodox, classical approach to the mind-body problem.
In the second half, he develops the implications of this metaphysical perspective for the nature of language and the agent-structure problem in social ontology. Wendt’s argument is a revolutionary development which raises fundamental questions about the nature of social life and the work of those who study it.
9. Handbook of Molecular Physics and Quantum Chemistry, 3 Volume Set
Author: by Stephen Wilson
Published in three volumes, this comprehensive reference work brings together in a single source for the first time, a detailed presentation of the most important theoretical concepts and methods for the study of molecules and molecular systems. The logical format of the Handbook allows the reader to progress from the foundations of the field to the most important and exciting areas of current research.
Edited and written by an outstanding international team, and containing over 100 articles written by more than 50 contributors, it will be invaluable for both the expert researcher and the graduate student or postdoctoral worker active in any of the broad range of fields where these concepts and methods are important.
Comprises three themed volumes: * Fundamentals * Molecular Electronic Structure * Molecules in the Physico-Chemical Environment: Spectroscopy, Dynamics and Bulk Properties * Presents detailed articles covering the key topics, presented in a didactic manner * Focuses both on theory and the relation of experiment to theory Volume 1, Fundamentals presents the foundations of molecular physics and quantum chemistry.
10. Quantum Physics for Beginners: An Easy Guide Revealing the Secrets of Quantum Mechanics
Author: by Gary Maher
Do you want to learn the basics of quantum physics, but you are struggling with some concepts? Do you wish there was an easy way to learn the complicated stuff (that’s not really complicated)? If so, you are in the right place because the Quantum Physics for Beginners guide will make sure you learn everything you want to know about quantum physics quickly and easily.
Physics, and especially quantum physics, can be a really tough field to navigate through. People learn and understand the matter best when they can visualize it and are able to compare it with something. That can be a problem when you are learning quantum physics because many concepts are hard to visualize if you don’t know a lot about them beforehand.
That is why this guide is here to help you with that. All topics are described in a detailed but easy-to-understand manner – perfectly suitable for beginners who have trouble understanding the concepts revolving around quantum physics. Here are the topics you can expect:Quantum EntanglementQuantum OpticsQuantum ElectrodynamicsUnified Field TheoryHistory of Quantum Physics and First DiscoveriesMain physicists and their theoriesQuantum mechanics applications in today’s worldAnd much more!
11. The Nature of the Chemical Bond and the Structure of Molecules and Crystals: An Introduction to Mode
Author: by Linus Pauling
Cornell University Press
The Nature of the Chemical Bond provides a general treatment, essentially nonmathematical, of present (as of 1960) knowledge about the structure of molecules and crystals and the nature of the chemical bond. Among the new features in the third edition are a detailed resonating-valence-bond theory of electron-deficient substances, such as the boranes and ferrocene; a chemical theory of the electronic structure of metals and intermetallic compounds; a discussion of the role of the hydrogen bond in the structures of proteins and nucleic acids; the electroneutrality principle; and other new principles of molecular structure.
12. Quantum Chemistry
Author: by Ira Levine
Known for its solid presentation of mathematics, this bestseller is a rigorous but accessible introduction to both quantum chemistry and the math needed to master it. Quantum Chemistry, Seventh Edition covers quantum mechanics, atomic structure, and molecular electronic structure, and provides a thorough, unintimidating treatment of operators, differential equations, simultaneous linear equations, and other areas of required math.
Practical for readers in all branches of chemistry, the new edition reflects the latest quantum chemistry research and methods of computational chemistry, and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties.
13. Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry, 16)
Author: by Robert G. Parr
This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides anunderstanding of the concepts of electronegativity, hardness and softness, and chemical reactivity.
Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and severalappendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.