An improved long-range corrected hybrid functional with vanishing Hartree-Fock exchange at zero interelectronic distance (LC2gau-BOP)

Journal of Chemical Physics

Volumn 131, Issue 14, 2009, Pages

  Song, Jong Won ^a,b,c   Watson, Mark A ^c   Hirao, Kimihiko ^a,b,c  

^a RIKEN   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; C ATOMS; CORE EXCITATION; CORE REGION; ERROR FUNCTION; FLEXIBLE MIXING; FUNCTIONALS; GAUSSIAN FUNCTIONS; HARTREE-FOCK; HARTREE-FOCK EXCHANGES; HYBRID FUNCTIONALS; INTERELECTRONIC DISTANCE; LINEAR BEHAVIOR; MOLECULAR GEOMETRIES; NUMBER OF ELECTRONS; RYDBERG EXCITATION; SELF-INTERACTION ERROR; SHORT-RANGE EXCHANGE; THERMOCHEMICAL PROPERTIES; TOTAL ENERGY;

ATOMS; CHARGE TRANSFER; ERRORS; ION EXCHANGE; MOLECULAR PHYSICS; PROBABILITY DENSITY FUNCTION; SURFACE STRUCTURE; THERMOCHEMISTRY;

DENSITY FUNCTIONAL THEORY;

EID: 70350461553     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3243819     Document Type: Article

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