Modern Quantum Chemistry: Introduction to ...

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出版社: Dover Publications
ISBN:9780486691862
商品编码:1096427373
包装:平装
外文名称:Modern Quantum Chemist...
出版时间:1996-01-01
页数:480
正文语种:英语


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Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory
作者: Attila Szabo;Neil S. Ostlund;
ISBN13: 9780486691862
类型: 平装(简装书)
语种: 英语(English)
出版日期: 1996-01-01
出版社: Dover Publications
页数: 480
重量(克): 485
尺寸: 25 x 140 x 210 mm

商品简介

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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