Open AccessGeneralized Gradient Approximation That Recovers the Second-Order Density-Gradient Expansion with Optimized Across-the-Board Performance
Author(s) -
Roberto Peverati,
Yan Zhao,
Donald G. Truhlar
Publication year - 2011
Publication title -
the journal of physical chemistry letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.563
H-Index - 203
ISSN - 1948-7185
DOI - 10.1021/jz200616w
Subject(s) - density gradient , order (exchange) , density functional theory , statistical physics , mathematics , algorithm , physics , computational chemistry , chemistry , quantum mechanics , finance , economics