A kinetic energy fitting metric for resolution of the identity second-order Møller-Plesset perturbation theory

Journal of Physical Chemistry A

Volumn 115, Issue 13, 2011, Pages 2794-2801

  Lambrecht, Daniel S ^a   Brandhorst, Kai ^a   Miller, William H ^a,b   McCurdy, C William ^b,c   Head Gordon, Martin ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AUXILIARY BASIS SETS; CORRELATION ENERGY; FITTING METRIC; PLESSET PERTURBATION THEORY; SCALING BEHAVIOR; SECOND ORDERS;

KINETIC ENERGY; POISSON EQUATION;

PERTURBATION TECHNIQUES;

EID: 79953275828     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp108218w     Document Type: Article

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35. 3(r - r ′) in the literature (cf. eq A8 of ref 34), which would also lead to eq 9. However, we did not find a clear derivation in the literature.
36. -4.
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