RSC Publishing


Publishing

 

Cover image for Physical Chemistry Chemical Physics, select for current issue

Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.



Subscribers

Non-subscribers

Free access



Paper

Phys. Chem. Chem. Phys., 2007, 9, 5340 - 5343, DOI: 10.1039/b709513a


Intracule functional models: I. Angle-corrected correlation kernels

Elise E. Dumont, Deborah L. Crittenden and Peter M. W. Gill


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.

Graphical abstract image for this article  (ID: b709513a)