Computation of two-electron Gaussian integrals for wave functions including the correlation factor r12exp(-γ r122)

Computer Physics Communications

Volumn 149, Issue 1, 2002, Pages 1-10

  Samson, Claire C M ^a   Klopper, Wim ^a   Helgaker, Trygve ^b  

^a UTRECHT UNIVERSITY   (Netherlands)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

Damped R12 theory; McMurchie Davidson expansion; Recurrence relations; Two electron integrals

Indexed keywords

COMPUTER SIMULATION; CORRELATION METHODS; ELECTRONS; FUNCTIONS; INTEGRAL EQUATIONS; MOLECULES;

TWO-ELECTRON INTEGRALS; WAVE FUNCTIONS;

ELECTRONIC STRUCTURE;

EID: 0037111047     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(02)00590-8     Document Type: Article

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