Methods of Quantum Chemistry
From Concepts to Algorithms
Trond Saue(Author)
Wiley-Blackwell (Publisher)
Will be published approx. on 4. August 2022
Book
Paperback/Softback
600 pages
978-1-119-38982-8 (ISBN)
Description
This textbook provides a comprehensive overview of modern methods of quantum chemistry, written by world leading experts on the subject. Topics covered include:
- Mathematical Tools in Quantum Chemistry
- General aspects of computational chemistry
- Second Quantization
- Basis Sets, Integrals and SCF Methods
- Density Functional Theory
- The Multiconfigurational Approach
- Coupled Cluster Theory
- Molecular properties/response theory
- Relativistic Quantum Chemistry
- Hybrid QM/classical models in Chemistry
- Algorithm design
- Local correlation
- Open shells
Each topic is complemented with extensive exercises and worked solutions. A Tutor's Guide for lecturers is provided online.
- Mathematical Tools in Quantum Chemistry
- General aspects of computational chemistry
- Second Quantization
- Basis Sets, Integrals and SCF Methods
- Density Functional Theory
- The Multiconfigurational Approach
- Coupled Cluster Theory
- Molecular properties/response theory
- Relativistic Quantum Chemistry
- Hybrid QM/classical models in Chemistry
- Algorithm design
- Local correlation
- Open shells
Each topic is complemented with extensive exercises and worked solutions. A Tutor's Guide for lecturers is provided online.
More details
Language
English
Place of publication
Chicester
United Kingdom
Publishing group
John Wiley and Sons Ltd
Target group
College/higher education
Dimensions
Height: 279 mm
Width: 216 mm
ISBN-13
978-1-119-38982-8 (9781119389828)
Copyright in bibliographic data is held by Nielsen Book Services Limited or its licensors: all rights reserved.
Schweitzer Classification
Person
Trond Saue, Universite Toulouse III-Paul Sabatier, France, is Drector of Research at the Laboratoire de Chimie et Physique Quantique, Universite Toulouse III-Paul Sabatier. Since 2011 he has been Director of the European Summer School in Quantum Chemistry (ESQC).