BOOKS - POPULAR SCIENCE - Multiconfigurational Quantum Chemistry
Multiconfigurational Quantum Chemistry - Bjorn O. Roos and Roland Lindh 2014 PDF Wiley BOOKS POPULAR SCIENCE
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Multiconfigurational Quantum Chemistry
Author: Bjorn O. Roos and Roland Lindh
Year: 2014
Format: PDF
File size: 5,4 MB
Language: ENG

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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