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Multiconfigurational quantum chemistry

Author: B O Roos; Roland Lindh; Per Åke Malmqvist; Valera Veryazov; Per-Olof Widmark
Publisher: Hoboken, New Jersey : Wiley, [2016]
Edition/Format:   Print book : EnglishView all editions and formats
Summary:
The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical  Read more...
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Genre/Form: Textbooks
Additional Physical Format: Online version:
Roos, B.O. (Björn O.).
Multiconfigurational quantum chemistry.
Hoboken, New Jersey : John Wiley & Sons, 2016
(DLC) 2016015079
Document Type: Book
All Authors / Contributors: B O Roos; Roland Lindh; Per Åke Malmqvist; Valera Veryazov; Per-Olof Widmark
ISBN: 9780470633465 0470633468
OCLC Number: 811003319
Description: xiv, 224 pages : illustrations ; 25 cm
Contents: Mathematical background --
Molecular orbital theory --
Hartree-Fock theory --
Relativistic effects --
Basis sets --
Second quantization and multiconfigurational wave functions --
Electron correlation --
Multiconfigurational SCF theory --
The RAS State-Interaction method --
The multireference CI method --
Multi-configurational reference perturbation theory --
CASPT2/CASSCF applications.
Responsibility: by Prof. Björn O. Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov, Per-Olof Widmark.

Abstract:

The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to  Read more...

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