Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies

Journal of Chemical Physics

Volumn 129, Issue 21, 2008, Pages

  Kristensen, Kasper ^a   Jørgensen, Poul ^a   Thorvaldsen, Andreas J ^b   Helgaker, Trygve ^c  

^a AARHUS UNIVERSITY   (Denmark)

^b UNIVERSITY OF TROMSØ   (Norway)

^c UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC FIELDS; PROBABILITY DENSITY FUNCTION; WAVE FUNCTIONS;

2N + 1 RULES; FUNCTION PARAMETERS; GENERAL METHODS; MOLECULAR PROPERTIES; RESPONSE EQUATIONS; RESPONSE PARAMETERS; VARIATIONAL ENERGIES;

LAGRANGE MULTIPLIERS;

EID: 57349194475     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3023123     Document Type: Article

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