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Bsqueda por nmero de registro: 018956
LDR cam##22#a#4500
001 018956
005 20200206150136.0
008 960222s19891989nyud###f#b####001#0#eng##
245 10 $a Modern quantum chemistry : $b introduction to advanced electronic structure theory / $c Attila Szabo and Neil S. Ostlund.
260 ## $a Mineola, N.Y. : $b Dover Publications, $c c1989.
300 ## $a xiv, 466 p. : $b il. ; $c 22 cm.
504 ## $a Incluye referencia bibliogrfica e ndice.
520 ## $a 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.
020 ## $a 0486691861 (pbk.)
100 1# $a Szabo, Attila, $d 1947 September 6.
700 1# $a Ostlund, Neil S.
080 ## $a 544.18
650 #7 $a Electronic structure. $2 inist
650 #7 $a Estructura electrnica. $2 inist
653 ## $a Quantum chemistry.
653 ## $a Qumica cuntica.
010 ## $a ###96010775#
040 ## $a DLC $b spa $d arbccab $c DLC $d DLC
856 41 $u,204,203,200%5F.jpg $3 Tapa
856 41 $u $3 Indice

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