Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 118, Issue 6, Pages 2464-2469Publisher
AIP Publishing
DOI: 10.1063/1.1535442
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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.
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