Multiconfigurational Quantum Chemistry

Forskningsoutput: Bok/rapportBok

Abstract

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.

Detaljer

Författare
Enheter & grupper
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Teoretisk kemi
Originalspråkengelska
FörlagWiley-Blackwell Publishing Ltd
Antal sidor224
ISBN (elektroniskt)9781119126171
ISBN (tryckt)9780470633465
StatusPublished - 2016 aug 15
PublikationskategoriForskning
Peer review utfördJa