Excitation energies from frozen-density embedding with accurate embedding potentials-Reference-Cited by-同舟云学术

Excitation energies from frozen-density embedding with accurate embedding potentials

Published:2015-06-21 Issue:23 Volume:142 Page:234101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Artiukhin Denis G.¹,Jacob Christoph R.²^ORCID,Neugebauer Johannes¹

Affiliation:

1. Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Computation, Westfälische Wilhelms-Universität Münster, Corrensstraße 40, 48149 Münster, Germany

2. Institute of Physical and Theoretical Chemistry, TU Braunschweig, Hans-Sommer-Straße 10, 38106 Braunschweig, Germany

Funder

Deutsche Forschungsgemeinschaft (DFG)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4922429

Reference47 articles.

1. Frozen density functional approach for ab initio calculations of solvated molecules

2. Kohn-Sham equations with constrained electron density: an iterative evaluation of the ground-state electron density of interacting molecules

3. Subsystem density-functional theory

4. Generalization of the Kohn-Sham equations with constrained electron density formalism and its time-dependent response theory formulation

5. Hydrogen-Bonding-Induced Shifts of the Excitation Energies in Nucleic Acid Bases: An Interplay between Electrostatic and Electron Density Overlap Effects

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