Modern Quantum Chemistry

Introduction to Advanced Electronic Structure Theory

Nonfiction, Science & Nature, Science, Chemistry, General Chemistry
Cover of the book Modern Quantum Chemistry by Neil S. Ostlund, Attila Szabo, Dover Publications
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: Neil S. Ostlund, Attila Szabo ISBN: 9780486134598
Publisher: Dover Publications Publication: June 8, 2012
Imprint: Dover Publications Language: English
Author: Neil S. Ostlund, Attila Szabo
ISBN: 9780486134598
Publisher: Dover Publications
Publication: June 8, 2012
Imprint: Dover Publications
Language: English

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.
Over 150 exercises, designed to help the reader acquire a working knowledge of the material, are embedded in the text. The book is largely self-contained and requires no prerequisite other than a solid undergraduate physical chemistry course; however, some exposure to quantum chemistry will enhance the student's appreciation of the material. Clear and well-written, this text is ideal for the second semester of a two-semester course in quantum chemistry, or for a special topics course.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

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.
Over 150 exercises, designed to help the reader acquire a working knowledge of the material, are embedded in the text. The book is largely self-contained and requires no prerequisite other than a solid undergraduate physical chemistry course; however, some exposure to quantum chemistry will enhance the student's appreciation of the material. Clear and well-written, this text is ideal for the second semester of a two-semester course in quantum chemistry, or for a special topics course.

More books from Dover Publications

Cover of the book Great Contemporary Pianists Speak for Themselves by Neil S. Ostlund, Attila Szabo
Cover of the book Birdhouses and Feeders by Neil S. Ostlund, Attila Szabo
Cover of the book Optimal Control Theory by Neil S. Ostlund, Attila Szabo
Cover of the book Native American Myths by Neil S. Ostlund, Attila Szabo
Cover of the book Nonlinear Potential Theory of Degenerate Elliptic Equations by Neil S. Ostlund, Attila Szabo
Cover of the book Oliver Twist by Neil S. Ostlund, Attila Szabo
Cover of the book Nineteenth-Century French Short Stories (Dual-Language) by Neil S. Ostlund, Attila Szabo
Cover of the book Eothen by Neil S. Ostlund, Attila Szabo
Cover of the book The Butterfly Babies' Book by Neil S. Ostlund, Attila Szabo
Cover of the book The Illustrations of Rockwell Kent by Neil S. Ostlund, Attila Szabo
Cover of the book Christmas Ornaments to Crochet by Neil S. Ostlund, Attila Szabo
Cover of the book The Best Martin Hewitt Detective Stories by Neil S. Ostlund, Attila Szabo
Cover of the book Poems of Faith by Neil S. Ostlund, Attila Szabo
Cover of the book Hill's Equation by Neil S. Ostlund, Attila Szabo
Cover of the book Morphy's Games of Chess by Neil S. Ostlund, Attila Szabo
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy