Computer Simulations of Molecules and Condensed Matter

Computer Simulations of Molecules and Condensed Matter
Author :
Publisher : World Scientific Publishing Company
Total Pages : 280
Release :
ISBN-10 : 9813230444
ISBN-13 : 9789813230446
Rating : 4/5 (446 Downloads)
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Book Synopsis Computer Simulations of Molecules and Condensed Matter by : Xinzheng Li

Download or read book Computer Simulations of Molecules and Condensed Matter written by Xinzheng Li and published by World Scientific Publishing Company. This book was released on 2018 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to computer simulations of molecules and condensed matter -- Quantum chemistry methods and density-functional theory -- Pseudopotentials, full potential, and basis sets -- Many-body Green function theory and the GTV approximation -- Molecular dynamics -- Extension of molecular dynamics, enhanced sampling and the free-energy calculations -- Quantum nuclear effects


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