Back to Search Start Over

Density matrix renormalization group with efficient dynamical electron correlation through range separation.

Authors :
Hedegård ED
Knecht S
Kielberg JS
Jensen HJ
Reiher M
Source :
The Journal of chemical physics [J Chem Phys] 2015 Jun 14; Vol. 142 (22), pp. 224108.
Publication Year :
2015

Abstract

We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electron-correlation effects in multiconfigurational electronic structure problems.

Details

Language :
English
ISSN :
1089-7690
Volume :
142
Issue :
22
Database :
MEDLINE
Journal :
The Journal of chemical physics
Publication Type :
Academic Journal
Accession number :
26071702
Full Text :
https://doi.org/10.1063/1.4922295