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arXiv · 1502.06157

Density Matrix Renormalization Group with Efficient Dynamical Electron Correlation Through Range Separation

Erik Donovan Hedegård·Stefan Knecht·Jesper Skau Kielberg·Hans Jørgen Aagaard Jensen·Markus Reiher
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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.

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Erik Donovan Hedegård, Stefan Knecht, Jesper Skau Kielberg, Hans Jørgen Aagaard Jensen, Markus Reiher. 2015-02-22. Density Matrix Renormalization Group with Efficient Dynamical Electron Correlation Through Range Separation. https://doi.org/10.1063/1.4922295

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