On the formulation of a density matrix functional for Van der Waals interaction of like- and opposite-spin electrons in the helium dimer
Whereas a density functional that incorporates dispersion interaction has remained elusive to date, we demonstrate that in principle the dispersion energy can be obtained from a density matrix functional. In density matrix functional theory one tries to find suitable approximations to the two-partic...
Saved in:
Published in | The Journal of chemical physics Vol. 137; no. 20; p. 204117 |
---|---|
Main Authors | , , , |
Format | Journal Article |
Language | English |
Published |
United States
28.11.2012
|
Online Access | Get more information |
Cover
Loading…
Be the first to leave a comment!