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Multiconfigurational Quantum Chemistry

Roos, Björn O. LU ; Lindh, Roland LU ; Malmqvist, Perske LU ; Veryazov, Valera LU orcid and Widmark, Per Olof LU (2016)
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 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 reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.

Please use this url to cite or link to this publication:
author
; ; ; and
organization
publishing date
type
Book/Report
publication status
published
subject
pages
224 pages
publisher
Wiley-Blackwell
external identifiers
  • scopus:85003022575
ISBN
9780470633465
9781119126171
DOI
10.1002/9781119126171
language
English
LU publication?
yes
id
a27a0081-c97e-47d7-831a-dba6078c4da2
date added to LUP
2019-05-22 14:27:27
date last changed
2024-06-25 14:46:38
@book{a27a0081-c97e-47d7-831a-dba6078c4da2,
  abstract     = {{<p>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 reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.</p>}},
  author       = {{Roos, Björn O. and Lindh, Roland and Malmqvist, Perske and Veryazov, Valera and Widmark, Per Olof}},
  isbn         = {{9780470633465}},
  language     = {{eng}},
  month        = {{08}},
  publisher    = {{Wiley-Blackwell}},
  title        = {{Multiconfigurational Quantum Chemistry}},
  url          = {{http://dx.doi.org/10.1002/9781119126171}},
  doi          = {{10.1002/9781119126171}},
  year         = {{2016}},
}