Open AccessQuantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set
Author(s) -
Anouar Benali,
Hyeondeok Shin,
Olle Hein
Publication year - 2020
Publication title -
journal of chemical physics online/the journal of chemical physics/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 - 10.1063/5.0026275
Subject(s) - quantum monte carlo , benchmark (surveying) , wave function , monte carlo method , statistical physics , diffusion monte carlo , basis set , benchmarking , set (abstract data type) , electronic structure , quantum , monte carlo molecular modeling , physics , computer science , algorithm , quantum mechanics , mathematics , molecule , markov chain monte carlo , marketing , business , statistics , geodesy , programming language , geography