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On the infinitude of non-zero eigenvalues of the single-electron density matrix for atoms and molecules
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UNSPECIFIED (2003) On the infinitude of non-zero eigenvalues of the single-electron density matrix for atoms and molecules. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 459 (2029). pp. 47-52. doi:10.1098/rspa.2002.1027 ISSN 1364-5021.
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Official URL: http://dx.doi.org/10.1098/rspa.2002.1027
Abstract
It is demonstrated that the exact electronic ground-state wave function for any atom or molecule has a single-electron density matrix with infinitely many non-zero eigenvalues. Ensuing theoretical considerations on standard approximate methods in quantum chemistry (the configuration-interaction and multi-configuration self-consistent field methods) are presented.
Item Type: | Journal Article | ||||
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Subjects: | Q Science | ||||
Journal or Publication Title: | PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES | ||||
Publisher: | ROYAL SOC LONDON | ||||
ISSN: | 1364-5021 | ||||
Official Date: | 8 January 2003 | ||||
Dates: |
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Volume: | 459 | ||||
Number: | 2029 | ||||
Number of Pages: | 6 | ||||
Page Range: | pp. 47-52 | ||||
DOI: | 10.1098/rspa.2002.1027 | ||||
Publication Status: | Published |
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