Modern quantum chemistry : (Record no. 19980)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 02325pam a2200205a 44500 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 150502b1989 xxu||||| |||| 00| 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Transcribing agency | BITS Pilani Hyderabad |
| Original cataloging agency | BITS Pilani Hyderabad |
| 041 ## - LANGUAGE CODE | |
| Language code of text/sound track or separate title | ENG |
| 082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 541.28 SZA-A |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Szabo, Attila |
| 245 ## - TITLE STATEMENT | |
| Title | Modern quantum chemistry : |
| Remainder of title | introduction to advanced electronic structure theory / |
| Statement of responsibility, etc. | Attila Szabo and Neil S. Ostlund |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
| Place of publication, distribution, etc. | New York |
| Name of publisher, distributor, etc. | Dover Publications |
| Date of publication, distribution, etc. | 1996 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 466 p. |
| 500 ## - GENERAL NOTE | |
| General note | 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.<br/>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.<br/>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. |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Quantum chemistry |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Chemistry |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Ostlund, Neil S. |
| 907 ## - LOCAL DATA ELEMENT G, LDG (RLIN) | |
| a | 541.28 SZA-A |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Source of classification or shelving scheme | Dewey Decimal Classification |
| 952 ## - LOCATION AND ITEM INFORMATION (KOHA) | |
| Withdrawn status | |
| 952 ## - LOCATION AND ITEM INFORMATION (KOHA) | |
| Withdrawn status | |
| 952 ## - LOCATION AND ITEM INFORMATION (KOHA) | |
| Withdrawn status | |
| Lost status | Source of classification or shelving scheme | Damaged status | Not for loan | Collection code | Home library | Current library | Shelving location | Date acquired | Total Checkouts | Total Renewals | Full call number | Barcode | Date last seen | Date last checked out | Price effective from | Koha item type |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Dewey Decimal Classification | 540 | BITS Pilani Hyderabad | BITS Pilani Hyderabad | Text & Reference Section (Student cannot borrow these books) | 02/05/2015 | 2 | 1 | 541.28 SZA-A | 11091 | 31/12/2024 | 27/07/2024 | 02/05/2015 | Course Reference Books | |||
| Dewey Decimal Classification | 540 | BITS Pilani Hyderabad | BITS Pilani Hyderabad | Text & Reference Section (Student cannot borrow these books) | 02/05/2015 | 541.28 SZA-A | 11092 | 13/07/2024 | 02/05/2015 | Course Reference Books | ||||||
| Dewey Decimal Classification | 540 | BITS Pilani Hyderabad | BITS Pilani Hyderabad | Text & Reference Section (Student cannot borrow these books) | 02/05/2015 | 541.28 SZA-A | 11093 | 13/07/2024 | 02/05/2015 | Course Reference Books |