عنوان

Computer simulations of molecules and condensed matter :

شابک

9789813230453

شابک

9813230452

شابک اشتباه

9789813230446

شابک اشتباه

9813230444

عنوان اصلي

Computer simulations of molecules and condensed matter :

نام عام مواد

[Book]

ساير اطلاعات عنواني

from electronic structures to molecular dynamics /

نام نخستين پديدآور

Xinzheng Li, En-Ge Wang.

محل نشرو پخش و غیره

Hackensack, NJ :

نام ناشر، پخش کننده و غيره

World Scientific,

تاریخ نشرو بخش و غیره

[2018]

تاریخ نشرو بخش و غیره

©2018

نام خاص و کميت اثر

1 online resource.

عنوان فروست

Peking University-World Scientific advance physics series,

مشخصه جلد

vol. 3

شاپا ي ISSN فروست

2382-5960 ;

متن يادداشت

Includes bibliographical references.

متن يادداشت

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.

بدون عنوان

0

متن يادداشت

"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"--

عنوان

Computer simulations of molecules and condensed matter.

شماره استاندارد بين المللي کتاب و موسيقي

9789813230446

موضوع مستند نشده

Condensed matter-- Computer simulation.

موضوع مستند نشده

Molecular dynamics-- Computer simulation.

موضوع مستند نشده

Condensed matter-- Computer simulation.

موضوع مستند نشده

Molecular dynamics-- Computer simulation.

موضوع مستند نشده

SCIENCE-- Energy.

موضوع مستند نشده

SCIENCE-- Mechanics-- General.

موضوع مستند نشده

SCIENCE-- Physics-- General.

موضوع مستند نشده

SCI-- 024000

موضوع مستند نشده

SCI-- 041000

موضوع مستند نشده

SCI-- 055000

شماره

ويراست

شماره رده

مستند نام اشخاص تاييد نشده

Li, Xinzheng,1978-

مستند نام اشخاص تاييد نشده

Wang, En-Ge,1957-

تاريخ عمليات

20200823231916.0

قواعد فهرست نويسي ( بخش توصيفي )

pn

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y