Noncovalent Interactions by Quantum Monte Carlo
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F16%3A33161268" target="_blank" >RIV/61989592:15310/16:33161268 - isvavai.cz</a>
Result on the web
<a href="http://pubs.acs.org/doi/full/10.1021/acs.chemrev.5b00577" target="_blank" >http://pubs.acs.org/doi/full/10.1021/acs.chemrev.5b00577</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.chemrev.5b00577" target="_blank" >10.1021/acs.chemrev.5b00577</a>
Alternative languages
Result language
angličtina
Original language name
Noncovalent Interactions by Quantum Monte Carlo
Original language description
Quantum Monte Carlo (QMC) is a family of stochastic methods for solving quantum many-body problems such as the stationary Schrtidinger equation. The review introduces basic notions of electronic structure QMC based On random walks in real space as well as its advances and adaptations to systems with noncovalent interactions. Specific issues such as fixed-node error cancellation, construction of trial wave functions, and efficiency considerations that allow for benchmark quality QMC energy differences are described in detail.,Comprehensive overview of articles covers QMC applications to systems with noncovalent interactions over the last three decades. The current status of QMC with regard to efficiency, applicability, and usability by nonexperts together with further considerations about QMC developments, limitations, and unsolved challenges are discussed as Well.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/LO1305" target="_blank" >LO1305: Development of the center of advanced technologies and materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemical Reviews
ISSN
0009-2665
e-ISSN
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Volume of the periodical
116
Issue of the periodical within the volume
9
Country of publishing house
US - UNITED STATES
Number of pages
28
Pages from-to
5188-5215
UT code for WoS article
000375888300010
EID of the result in the Scopus database
2-s2.0-84969601861