Multiconfigurational Quantum Chemistry
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A01=Bjorn O. Roos
A01=Per ?ke Malmqvist
A01=Per-Olof Widmark
A01=Roland Lindh
A01=Valera Veryazov
Author_Bjorn O. Roos
Author_Per ?ke Malmqvist
Author_Per-Olof Widmark
Author_Roland Lindh
Author_Valera Veryazov
Bjorn Roos
Category=PNRP
chemical reactions in ground and excited states
computational quantum chemistry
DFT
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Multiconfigurational Quantum Chemistry
Per Ake Malmqvist
Per-Olof Widmark
Roland Lindh
transition metal
Valera Veryazov
wavefunction-based methods
Product details
- ISBN 9780470633465
- Weight: 454g
- Dimensions: 160 x 236mm
- Publication Date: 27 Sep 2016
- Publisher: John Wiley & Sons Inc
- Publication City/Country: US
- Product Form: Hardback
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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.
Björn O. Roos received his PhD inTheoretical Physics and is Professor Emeritus at Lund University. He is a former board member of the Swedish National Research Foundation, a member of the Swedish Royal Academy of Sciences, the Nobel Committee for Chemistry, the International Academy of Quantum Molecular Sciences, and is on the advisory editorial board for Chemical Physics Letter, Molecular Physics, International Journal of Quantum Chemistry, and Chemical Physics Physical Chemistry. Dr. Roos is the author of approximately 300 peer-reviewed articles in international journals, various book chapters, and is editor and co-author of text books for the European Summer School in Quantum Chemistry.
