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.
|Autori:||A. NAGY; AMOVILLI C|
|Titolo:||Effective potential in density matrix functional theory|
|Anno del prodotto:||2004|
|Digital Object Identifier (DOI):||10.1063/1.1791571|
|Appare nelle tipologie:||1.1 Articolo in rivista|