15524683

Source:http://linkedlifedata.com/resource/pubmed/id/15524683

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Predicate	Object
rdf:type	pubmed:Citation
lifeskim:mentions	umls-concept:C0205245, umls-concept:C0542341, umls-concept:C0680730, umls-concept:C1148554, umls-concept:C2599617
pubmed:issue	13
pubmed:dateCreated	2004-11-4
pubmed:abstractText	We propose expanding the space of variations in traditional variational calculations for the energy by considering the wave function psi to be a functional of a set of functions chi:psi=psi[chi], rather than a function. A constrained search in a subspace over all functions chi such that the functional psi[chi] satisfies a sum rule or leads to a physical observable is then performed. An upper bound to the energy is subsequently obtained by variational minimization. The rigorous construction of such a constrained-search-variational wave function functional is demonstrated.
pubmed:grant	http://linkedlifedata.com/resource/pubmed/grant/RR-03037
pubmed:language	eng
pubmed:journal	http://linkedlifedata.com/resource/pubmed/journal/0401141
pubmed:citationSubset	IM
pubmed:status	MEDLINE
pubmed:month	Sep
pubmed:issn	0031-9007
pubmed:author	pubmed-author:MassaLouL, pubmed-author:PanXiao-YinXY, pubmed-author:SahniVirahtV
pubmed:issnType	Print
pubmed:day	24
pubmed:volume	93
pubmed:owner	NLM
pubmed:authorsComplete	Y
pubmed:pagination	130401
pubmed:dateRevised	2007-11-14
pubmed:meshHeading	pubmed-meshheading:15524683-Quantum Theory, pubmed-meshheading:15524683-Thermodynamics
pubmed:year	2004
pubmed:articleTitle	Determination of a wave function functional.
pubmed:affiliation	The Graduate School of the City University of New York, New York, New York 10016, USA.
pubmed:publicationType	Journal Article, Research Support, U.S. Gov't, P.H.S., Research Support, U.S. Gov't, Non-P.H.S., Research Support, Non-U.S. Gov't