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Some basic properties of the correlation matrices
Author(s) -
Valdemoro C.,
Tel L. M.,
Alcoba D. R.,
PérezRomero E.,
Casquero F. J.
Publication year - 2002
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.10338
Subject(s) - rdm , basis (linear algebra) , correlation , density matrix , matrix (chemical analysis) , statistical physics , set (abstract data type) , order (exchange) , basis set , chemistry , computational chemistry , quantum , mathematics , physics , quantum mechanics , density functional theory , computer science , geometry , finance , chromatography , economics , programming language , computer network
On the basis of the properties of correlation matrices, it is shown here that the set of all the first‐order transition reduced density matrices of a system provide complete information about that system. Also, the interrelation between the properties of the correlation matrix and the 2‐RDM N ‐representability conditions is studied. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002