logo

EbookBell.com

Most ebook files are in PDF format, so you can easily read them using various software such as Foxit Reader or directly on the Google Chrome browser.
Some ebook files are released by publishers in other formats such as .awz, .mobi, .epub, .fb2, etc. You may need to install specific software to read these formats on mobile/PC, such as Calibre.

Please read the tutorial at this link:  https://ebookbell.com/faq 


We offer FREE conversion to the popular formats you request; however, this may take some time. Therefore, right after payment, please email us, and we will try to provide the service as quickly as possible.


For some exceptional file formats or broken links (if any), please refrain from opening any disputes. Instead, email us first, and we will try to assist within a maximum of 6 hours.

EbookBell Team

Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics Li

  • SKU: BELL-7122978
Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics Li
$ 31.00 $ 45.00 (-31%)

5.0

100 reviews

Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics Li instant download after payment.

Publisher: World Scientific Publishing Company
File Extension: PDF
File size: 8.38 MB
Author: Li, Xinzheng; Wang, En-Ge
ISBN: 9789813230446, 9813230444
Language: English
Year: 2018

Product desciption

Computer Simulations Of Molecules And Condensed Matter From Electronic Structures To Molecular Dynamics Li by Li, Xinzheng; Wang, En-ge 9789813230446, 9813230444 instant download after payment.

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

"This book provides a 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 aim to help beginning graduate students to set up a framework of the concepts they should know before tackling the physical/chemical problems they face in their research" 

Related Products