A revised electronic Hessian for approximate time-dependent density functional theory

Journal of Chemical Physics

Volumn 129, Issue 18, 2008, Pages

  Ziegler, Tom ^a   Seth, Michael ^a   Krykunov, Mykhaylo ^a   Autschbach, Jochen ^b  

^a UNIVERSITY OF CALGARY   (Canada)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONS; FLOW INTERACTIONS; GROUND STATE; MOLECULAR PHYSICS; PROBABILITY DENSITY FUNCTION; SURFACE STRUCTURE; SYSTEMATIC ERRORS;

ELECTRON CHARGES; ELECTRON DENSITIES; ELECTRON EXCITATIONS; ELECTRONIC GROUND STATES; ENERGY DIFFERENCES; GENERALIZED GRADIENT LEVEL OF APPROXIMATIONS; NUMERICAL APPLICATIONS; RESPONSE THEORIES; SECOND ORDERS; SEPARATED REGIONS; SLATER DETERMINANTS; SMALL PERTURBATIONS; SPATIAL EXTENTS; STATE TRANSITIONS; TRANSFER EXCITATIONS; TRUST REGIONS;

DENSITY FUNCTIONAL THEORY;

EID: 56349145209     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3009622     Document Type: Article

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