Multiconfigurational Quantum Chemistry (eBook)

Björn O. Roos, Roland Lindh, Per Åke Malmqvist, Valera Veryazov, Per-Olof Widmark (Autoren)

eBook Download: PDF

2016 | 1. Auflage
240 Seiten
John Wiley & Sons (Verlag)
978-1-119-27787-3 (ISBN)

Infos

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.

Autor

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.

Produkt-Details

• Erscheint lt. Verlag: 3.8.2016
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Technik
• Schlagworte: Chemie • Chemistry • Computational Chemistry & Molecular Modeling • Computational Chemistry u. Molecular Modeling • Physical Chemistry • Physics • Physik • Physikalische Chemie • theoretical physics • Theoretische Physik
• ISBN-10: 1-119-27787-6 / 1119277876
• ISBN-13: 978-1-119-27787-3 / 9781119277873