Density Matrix Renormalization Group with Efficient Dynamical Electron Correlation Through Range Separation
Chemical Physics
2017-01-24 v2 Strongly Correlated Electrons
Computational Physics
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.
Cite
@article{arxiv.1502.06157,
title = {Density Matrix Renormalization Group with Efficient Dynamical Electron Correlation Through Range Separation},
author = {Erik Donovan Hedegård and Stefan Knecht and Jesper Skau Kielberg and Hans Jørgen Aagaard Jensen and Markus Reiher},
journal= {arXiv preprint arXiv:1502.06157},
year = {2017}
}
Comments
13 pages, 4 figures, 2 tables