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Quantum monte carlo methods for electronic structure of nanosystems
Author(s) -
Mitas Lubos
Publication year - 2003
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1560/qrwb-75nv-mel1-d124
Subject(s) - chemistry , electronic structure , quantum monte carlo , monte carlo method , statistical physics , dissociation (chemistry) , nanotechnology , computational chemistry , physics , mathematics , materials science , statistics
Abstract We provide a brief review of recent applications of quantum Monte Carlo (QMC) methods to the electronic structure of nanosystems. We report on calculations of carbon rings with second‐order Jahn‐Teller effect, energy ordering of silicon clusters, dissociation enthalpies of protonated hydrogen clusters, and other interesting challenges. We point out the QMC accuracy and outline a few ideas that characterize the current position of QMC among the electronic structure methods and its future development.