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Molecular Electronic-structure Theory
Trygve Helgaker
€ 677.13
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Description for Molecular Electronic-structure Theory
Hardcover. With the development of sophisticated program packages, advanced computational electronic-structure theory has become a practical tool for nonspecialists at universities and in industry. This book provides a technical account of the subject. Num Pages: 938 pages, Illustrations. BIC Classification: PNRH; PNRP; TGM. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 252 x 194 x 52. Weight in Grams: 1736.
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods.
This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include:
* Second quantization with spin adaptation
* Gaussian basis sets and molecular-integral evaluation
* Hartree-Fock theory
... Read more
Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods.
This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include:
* Second quantization with spin adaptation
* Gaussian basis sets and molecular-integral evaluation
* Hartree-Fock theory
... Read more
Product Details
Format
Hardback
Publication date
2000
Publisher
John Wiley and Sons Ltd United Kingdom
Number of pages
938
Condition
New
Number of Pages
938
Place of Publication
New York, United States
ISBN
9780471967552
SKU
V9780471967552
Shipping Time
Usually ships in 7 to 11 working days
Ref
99-50
About Trygve Helgaker
Trygve Helgaker Department of Chemistry, University of Oslo, Norway Poul Jorgensen and Jeppe Olsen Department of Chemistry, University of Aarhus, Denmark
Reviews for Molecular Electronic-structure Theory
"...the most complete and satisfying presentation of the actual armament involved in the computational approach to electronic structure that I have seen, and should be available to all students and researchers who wish to understand the basis of...molecular electronic structure methods." (Physics Today, December 2001)