The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach

Details The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach

2006-02-03

arxiv.org/abs/quant-ph/0602042v2

Physics

Quantum Physics

Scientific paper

10.1063/1.2222358

We present here a formulation of the electronic ground-state energy in terms of the second order reduced density matrix, using a duality argument. It is shown that the computation of the ground-state energy reduces to the search of the projection of some two-electron reduced Hamiltonian on the dual cone of $N$-representability conditions. Some numerical results validate the approach, both for equilibrium geometries and for the dissociation curve of N$_2$.

Affiliated with

Also associated with

No associations

Rating

The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach 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 The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-485461