| Literature DB >> 15473719 |
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