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Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics
Engelsk Hardback
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Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics
Engelsk Hardback

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Om denne bog

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 are also covered, based on Feynman's path-integral representation of quantum mechanics. The book aims to help beginning graduate students to set up a framework of the concepts they should know before tackling the physical/chemical problems they will face in their research.

Product detaljer
Sprog:
Engelsk
Sider:
280
ISBN-13:
9789813230446
Indbinding:
Hardback
Udgave:
ISBN-10:
9813230444
Udg. Dato:
8 mar 2018
Længde:
20mm
Bredde:
235mm
Højde:
158mm
Forlag:
World Scientific Publishing Co Pte Ltd
Oplagsdato:
8 mar 2018
Forfatter(e):
Kategori sammenhænge