Multiconfigurational Quantum Chemistry

Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical
Cover of the book Multiconfigurational Quantum Chemistry by Björn O. Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov, Per-Olof Widmark, Wiley
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Author: Björn O. Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov, Per-Olof Widmark ISBN: 9781119277880
Publisher: Wiley Publication: August 3, 2016
Imprint: Wiley Language: English
Author: Björn O. Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov, Per-Olof Widmark
ISBN: 9781119277880
Publisher: Wiley
Publication: August 3, 2016
Imprint: Wiley
Language: English

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.

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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.

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