Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Dover Books on Chemistry) - Softcover

Szabo, Attila; Ostlund, Neil S.

Softcover

ISBN 10: 0486691861 ISBN 13: 9780486691862

Verlag: Dover Publications Inc., 1996

Inhaltsangabe

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.

Details zur Ausgabe

• Verlag: Dover Publications Inc.
• Erscheinungsdatum: 1996
• Sprache: Englisch
• ISBN 10: 0486691861
• ISBN 13: 9780486691862
• Einband: Taschenbuch
• Anzahl der Seiten: 480
• Kontakt zum Hersteller: Nicht verfügbar
• Verantwortliche Person: Soc. Agr. La Raia Ss; http://www.la-raia.it; ; Strada Monterotondo, 79; Novi Ligure; 15067; Italien