Reference-state one-particle density-matrix theory
نویسندگان
چکیده
منابع مشابه
One-Particle Density Matrix Functional for Correlation in Molecular Systems
Based on the analysis of the general properties for the oneand twoparticle reduced density matrices, a new natural orbital functional is obtained. It is shown that by partitioning the two-particle reduced density matrix in an antisymmeterized product of one-particle reduced density matrices and a correction c we can derive a corrected Hartree–Fock theory. The spin structure of the correction te...
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für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...
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ژورنال
عنوان ژورنال: Physical Review A
سال: 2004
ISSN: 1050-2947,1094-1622
DOI: 10.1103/physreva.69.042514