Computer Simulations of Molecules and Condensed Matter: From Electronic Structures to Molecular Dynamics
This book provides a relatively complete introduction to the methods used in computational condensed matter. A wide range of electronic structure theories are introduced, including traditional quantum chemistry methods, density functional theory, many-body perturbation theory, and more. Molecular dynamics simulations are also discussed, with extensions to enhanced sampling and free-energy calculation techniques including umbrella sampling, meta-dynamics, integrated tempering sampling, etc. As a further extension beyond the standard Born-Oppenheimer molecular dynamics, some simulation techniques for the description of quantum nuclear effects a…
Mehr
CHF 116.00
Preise inkl. MwSt. und Versandkosten (Portofrei ab CHF 40.00)
V105:
Folgt in ca. 15 Arbeitstagen
Produktdetails
Weitere Autoren: Wang, Enge
- ISBN: 978-981-3230-44-6
- EAN: 9789813230446
- Produktnummer: 25388913
- Verlag: World Scientific Pub Co Inc
- Sprache: Englisch
- Erscheinungsjahr: 2018
- Seitenangabe: 280 S.
- Masse: H23.5 cm x B15.7 cm x D1.9 cm 562 g
- Reihenbandnummer: 3
- Gewicht: 562
Bewertungen
Anmelden