Molecular electronic-structure theory
"Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions." "This book is for researchers in the field of quantum chemistry as well as for nonspecialists…
Read More ↓Title Statements
- Full title :Molecular electronic-structure theory / Trygve Helgaker, Poul Jørgensen, Jeppe Olsen.
Summary
"Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions." "This book is for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates."--Jacket.
Read More ↓Edition Statements
- Publication Date:©2000.
Publication Statements
- Publisher(s):Wiley
- Place of Publication:Chichester
- Language:eng
- Publication Date:©2000.
The Physical Object
- Description:xxvii, 908 pages : : illustrations ; : 26 cm
Edition Identifiers
- ISBN:0471967556, 9780471967552, 9781118531471, 1118531477
- oclc:ocm41967268
- LC Classification:QD461
- Dewey Decimal:541.2/2
Table of Contents
Second Quantization. -- Spin in Second Quantization. -- Orbital Rotations. -- Exact and Approximate Wave Functions. -- The Standard Models. -- Atomic Basis Functions. -- Short-Range Interactions and Orbital Expansions. -- Gaussian Basis Sets. -- Molecular Integral Evaluation. -- Hartree-Fock Theory. -- Configuration-Interaction Theory. -- Multiconfigurational Self-Consistent Field Theory. -- Coupled-Cluster Theory. -- Perturbation Theory. -- Calibration of the Electronic-Structure Models. -- List of Acronyms.
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