2024-03-28T15:18:37Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1026242016-02-18T02:50:50Zcom_10261_14181com_10261_4col_10261_14182
Pérez-Romero, E.
Tel, Luis María
Valdemoro, Carmela
2014-09-29T10:26:58Z
2014-09-29T10:26:58Z
1997
International Journal of Quantum Chemistry 61: 55- 61 (1997)
http://hdl.handle.net/10261/102624
10.1002/(SICI)1097-461X(1997)61:1<55::AID-QUA6>3.0.CO;2-3
The traces of the p-order reduced density matrices (p-RDM) split into independent contributions associated to the subsets of p-electron eigenstates of the Ŝ2 and Ŝz operators. Here, we report the partial traces for the blocks of the low-order RDMs corresponding to pure spin states of an N-electron system. A systematic method for calculating those of higher order RDMs is described and some useful relations are also given. All these relations which must be fulfilled independently by a RDM can be considered as N- and S-representability conditions © 1997 John Wiley & Sons, Inc.
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Traces of spin-adapted reduced density matrices
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