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Multiconfigurational Quantum Chemistry

Autor Björn O Roos, Roland Lindh, Malmqvist, Valera Veryazov, Per-Olof Widmark
en Limba Engleză Hardback – 5 apr 2016
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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Specificații

ISBN-13: 9780470633465
ISBN-10: 0470633468
Pagini: 240
Dimensiuni: 161 x 244 x 20 mm
Greutate: 0.5 kg
Editura: Wiley
Locul publicării:Hoboken, United States

Public țintă

Students and researchers in computational chemistry, quantum chemistry, photochemistry, physics, and inorganic chemistry.

Descriere

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.