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