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Title

Family of modified-contracted Schrödinger equations

AuthorsAlcoba, Diego Ricardo; Valdemoro, Carmela
Keywords[PACS] Solutions of wave equations: bound states
[PACS] Theory of electronic structure, electronic transitions, and chemical binding
Issue Date13-Nov-2001
PublisherAmerican Physical Society
CitationPhysical Review A 64(6): 062105 (2001)
AbstractA family of equations that combines contracted Schrödinger equations of different orders is reported here. Attention is focussed on the resulting second order, third order, and fourth order of these modified-contracted Schrödinger equations. Some of these equations are self-contained and have as fixed points those corresponding to the full-configuration interaction eigenstates. The indeterminacy, which hindered initially the use of the contracted Schrödinger equations, does not formally exist in these equations. Relations linking the lower-order reduced density matrices with the higher-order matrices are exactly incorporated into the modified-contracted Schrödinger-equations structure. The cancellation of high-order correlation terms, which is hidden in the contracted Schrödinger equations, now takes an explicit form.
Description7 pages.-- PACS nrs.: 03.65.Ge, 31.10.+z.
Publisher version (URL)http://dx.doi.org/10.1103/PhysRevA.64.062105
URIhttp://hdl.handle.net/10261/14553
DOI10.1103/PhysRevA.64.062105
ISSN1050-2947
Appears in Collections:(CFMAC-IFF) Artículos
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