Approximate Solution of the Representability Problem

Details Approximate Solution of the Representability Problem Approximate Solution of the Representability Problem

1999-07-27

arxiv.org/abs/physics/9907045v4

Physics

Chemical Physics

LaTeX2e, 45 pages; significantly revised

Scientific paper

Approximate solution of the ensemble representability problem for density operators of arbitrary order is obtained. This solution is closely related to the ``Q condition'' of A.J.Coleman. The representability conditions are formulated in orbital representation and are easy to use. They are tested numerically on the base of CI calculation of simple atomic and molecular systems. General scheme of construction of the contraction operator right inverses is proposed and the explicit expression for the right inverse associated with the expansion operator is derived as an example. Two algorithms for direct 2-density matrix determination are described.

Affiliated with

Also associated with

No associations

Rating

Approximate Solution of the Representability Problem does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Approximate Solution of the Representability Problem, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Approximate Solution of the Representability Problem will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-725160