Literature DB >> 15473719

Effective potential in density matrix functional theory.

A Nagy1, C Amovilli.   

Abstract

In the previous paper it was shown that in the ground state the diagonal of the spin independent second-order density matrix n can be determined by solving a single auxiliary equation of a two-particle problem. Thus the problem of an arbitrary system with even electrons can be reduced to a two-particle problem. The effective potential of the two-particle equation contains a term v(p) of completely kinetic origin. Virial theorem and hierarchy of equations are derived for v(p) and simple approximations are proposed. A relationship between the effective potential u(p) of the shape function equation and the potential v(p) is established.

Year:  2004        PMID: 15473719     DOI: 10.1063/1.1791571

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Time-dependent pair density from the principle of minimum Fisher information.

Authors:  Á Nagy
Journal:  J Mol Model       Date:  2018-08-15       Impact factor: 1.810

2.  N-representability of the Jastrow wave function pair density of the lowest-order.

Authors:  Katsuhiko Higuchi; Masahiko Higuchi
Journal:  Sci Rep       Date:  2017-08-08       Impact factor: 4.379

  2 in total

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