4.7 Article

A new correlation functional based on a transcorrelated Hamiltonian

Journal

JOURNAL OF CHEMICAL PHYSICS
Volume 118, Issue 6, Pages 2464-2469

Publisher

AIP Publishing
DOI: 10.1063/1.1535442

Keywords

-

Ask authors/readers for more resources

We propose a new correlation functional based on a transcorrelated Hamiltonian that uses an exponential correlation factor. In our approach, electron-electron correlation effects are not calculated directly but are incorporated into an effective kinetic contribution. Our new functional reproduces accurate correlation energies for H-Ar atoms reasonably well. In order to investigate the behavior of this functional, we have also studied the correlation holes of He and Hooke atoms in detail. (C) 2003 American Institute of Physics.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available