Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory

Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory

  • Downloads:1796
  • Type:Epub+TxT+PDF+Mobi
  • Create Date:2021-04-30 08:55:25
  • Update Date:2025-09-06
  • Status:finish
  • Author:Attila Szabo
  • ISBN:0486691861
  • Environment:PC/Android/iPhone/iPad/Kindle

Summary

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。

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Reviews

Jason

OK。 The end is unremarkable。

Jorge J。

Impressive。 Up to date theoretical information。

Brian

I don't know anyone in my generation of electronic structure theorists who doesn't think this book is the gateway to the field。 I don't know anyone in my generation of electronic structure theorists who doesn't think this book is the gateway to the field。 。。。more