Multiconfigurational Quantum Chemistry
Roos, Björn O. LU ; Lindh, Roland LU ; Malmqvist, Perske LU ; Veryazov, Valera LU
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:
https://lup.lub.lu.se/record/a27a0081-c97e-47d7-831a-dba6078c4da2
- author
- Roos, Björn O.
LU
; Lindh, Roland
LU
; Malmqvist, Perske
LU
; Veryazov, Valera
LU
and Widmark, Per Olof
LU
- organization
- publishing date
- 2016-08-15
- 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
- 2024-06-26 17:14:07
@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}},
}