Studies in the configuration interaction method. I. Combinatorial aspects of the downward-robb algorithm

The Downward‐Robb algorithm is one of the effective methods used in the unitary group approach to the configuration interaction treatment. The number of configurations corresponding to a given harmonic level (Paldus) or to a given total orbital weight (Downward‐Robb) can be determined by this algori...

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Veröffentlicht in:International journal of quantum chemistry 1981-03, Vol.20 (S15), p.101-111
1. Verfasser: Pauncz, Ruben
Format: Artikel
Sprache:eng
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Zusammenfassung:The Downward‐Robb algorithm is one of the effective methods used in the unitary group approach to the configuration interaction treatment. The number of configurations corresponding to a given harmonic level (Paldus) or to a given total orbital weight (Downward‐Robb) can be determined by this algorithm. The knowledge of these numbers is essential for an effective implementation of the procedure. This article presents a new way to calculate these numbers. This procedure also yields novel relations among different partition functions.
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.560200811