Name: Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Dover Books on Chemistry) (en Inglés)
Price: 28710.00 CLP
Availability: InStock
Author: Szabo, Attila ; Ostlund, Neil S.
ISBN: 9780486691862

portada Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Dover Books on Chemistry) (en Inglés)

Formato

Libro Físico

Autor

Attila Szabo

Neil S. Ostlund

Editorial

Dover Publications

Año

1996

Idioma

Inglés

N° páginas

480

Encuadernación

Tapa Blanda

Dimensiones

21.1 x 13.5 x 2.5 cm

Peso

0.59 kg.

ISBN

0486691861

ISBN13

9780486691862

Categorías

Química física

Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Dover Books on Chemistry) (en Inglés)

Attila Szabo (Autor) · Neil S. Ostlund (Autor) · Dover Publications · Tapa Blanda

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Reseña del libro "Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Dover Books on Chemistry) (en Inglés)"

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.