Computer Simulations of Molecules and Condensed Matter
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Book Overview This book provides a relatively complete introduction to the methods used in computational condensed matter. A wide range of electronic s...
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.
Book Details Format: Hardcover | Pages: 263 | Language: English | Publisher: WORLD SCIENTIFIC PUB CO INC | ISBN: 9813230444
FormatHardcover
Pages263
LanguageEnglish
ISBN9813230444
EAN9789813230446
PublisherWORLD SCIENTIFIC PUB CO INC
Publication Date1970-01-01
AccessoriesNo Accessory
ConditionNew
Product TypeHARD COVER BOOKS
Weight1.2 Pounds
Length9.0 Inches
Width6.0 Inches
Height0.69 Inches
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