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Title: | Family of modified-contracted Schrödinger equations |
Authors: | Alcoba, Diego Ricardo; Valdemoro, Carmela CSIC | Keywords: | [PACS] Solutions of wave equations: bound states [PACS] Theory of electronic structure, electronic transitions, and chemical binding |
Issue Date: | 13-Nov-2001 | Publisher: | American Physical Society | Citation: | Physical Review A 64(6): 062105 (2001) | Abstract: | A 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. | Description: | 7 pages.-- PACS nrs.: 03.65.Ge, 31.10.+z. | Publisher version (URL): | http://dx.doi.org/10.1103/PhysRevA.64.062105 | URI: | http://hdl.handle.net/10261/14553 | DOI: | 10.1103/PhysRevA.64.062105 | ISSN: | 1050-2947 |
Appears in Collections: | (CFMAC-IFF) Artículos |
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