Modern quantum chemistry : introduction to advanced electronic structure theory /
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...
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| Formato: | Libro |
| Lenguaje: | Inglés |
| Publicado: |
Mineola, N.Y. :
Dover Publications,
c1989.
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| Acceso en línea: | Tapa Indice |
| LEADER | 02840cam#a2200301#a#4500 | ||
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| 001 | BCCAB018956 | ||
| 008 | 960222s19891989nyud###f#b####001#0#eng## | ||
| 005 | 20200206150136.0 | ||
| 003 | AR-BCCAB | ||
| 245 | 1 | 0 | |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 bibliográfica e índice. |
| 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 electrónica |2 inist |
| 653 | # | # | |a Quantum chemistry. |
| 653 | # | # | |a Química cuántica |
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| 856 | 4 | 1 | |u http://campi.cab.cnea.gov.ar/tocs/23969.pdf |3 Indice |
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| 952 | # | # | |2 udc |a ARBCCAB |b ARBCCAB |d 20181203 |i 23969 |o 544.18 Sz12 |p 23969 |t 1 |y BK |
