Open AccessA fixed-node Diffusion Monte Carlo study of the 1,2,3-tridehydrobenzene triradical
Author(s) -
Lucas Koziol,
Miguel M. Morales
Publication year - 2014
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4880275
Subject(s) - diffusion monte carlo , quantum monte carlo , wave function , monte carlo method , coupled cluster , complete active space , degenerate energy levels , electronic structure , atomic orbital , configuration interaction , ground state , cluster (spacecraft) , chemistry , atomic physics , diffusion , physics , electron , computational chemistry , monte carlo molecular modeling , molecule , quantum mechanics , mathematics , excited state , programming language , statistics , markov chain monte carlo , computer science
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