Linked Life Data

21391690

Source:http://linkedlifedata.com/resource/pubmed/id/21391690

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
13
pubmed:dateCreated
2011-3-31
pubmed:abstractText
A kinetic-energy-based fitting metric for application in the context of resolution of the identity second-order Møller-Plesset perturbation theory is presented, which is derived from the Poisson equation. Preliminary tests of the applicability include the evaluation of the error in the correlation energy, compared to standard Møller-Plesset perturbation theory, with respect to the auxiliary basis set employed. We comment on the potential merits of this fitting metric, compared to standard resolution of the identity second-order Møller-Plesset perturbation theory, and discuss its scaling behavior in the limit of large molecules.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Apr
pubmed:issn
1520-5215
pubmed:author
pubmed:issnType
Electronic
pubmed:day
7
pubmed:volume
115
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
2794-801
pubmed:year
2011
pubmed:articleTitle
A kinetic energy fitting metric for resolution of the identity second-order Møller-Plesset perturbation theory.
pubmed:affiliation
Department of Chemistry, University of California, Berkeley, California 94720, United States. daniel.lambrecht@berkeley.edu
pubmed:publicationType
Journal Article