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Lindh, Roland

Multiconfigurational Quantum Chemistry

Lindh, Roland - Multiconfigurational Quantum Chemistry, ebook

129,45€

Ebook, ePUB with Adobe DRM
ISBN: 9781119277880
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Printing72 pages with an additional page accrued every 11 hours, capped at 72 pages
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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.

Keywords: Multiconfigurational Quantum Chemistry, Bjorn Roos, Roland Lindh, Per Âke Malmqvist, Valera Veryazov, Per-Olof Widmark, chemical reactions in ground and excited states, transition metal, DFT, wavefunction-based methods, computational quantum chemistry, Physical Chemistry

Author(s)
 
 
 
 
Publisher
John Wiley and Sons, Inc.
Publication year
2016
Language
en
Edition
1
Page amount
240 pages
Category
Natural Sciences
Format
Ebook
eISBN (ePUB)
9781119277880
Printed ISBN
9780470633465

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