Intracule functional models: I. Angle-corrected correlation kernels.
We explore the merits of applying a simple angle-dependent correction to the correlation kernel within the framework of Hartree-Fock-Wigner theory. Based on numerical results for the first eighteen atoms, we conclude that such a correction offers a significant improvement over the action kernel that we and others have explored previously.
Dumont
Elise E
EE
Research School of Chemistry, Australian National University, ACT 0200, Australia.
Crittenden
Deborah L
DL
Gill
Peter M W
PM