Experimental Benchmark Data and Systematic Evaluation of Two a Posteriori, Polarizable-Continuum Corrections for Vertical Excitation Energies in Solution-Reference-Cited by-同舟云学术

Experimental Benchmark Data and Systematic Evaluation of Two a Posteriori, Polarizable-Continuum Corrections for Vertical Excitation Energies in Solution

Published:2015-02-20 Issue:21 Volume:119 Page:5446-5464
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Mewes Jan-Michael¹,You Zhi-Qiang²,Wormit Michael¹,Kriesche Thomas³,Herbert John M.²,Dreuw Andreas¹

Affiliation:

1. Interdisciplinary Center for Scientific Computing, Ruprechts-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany

2. Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States

3. Institute for Physical Chemistry, Ruprechts-Karls University, 69120 Heidelberg, Germany

Funder

Division of Chemistry

Camille and Henry Dreyfus Foundation

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp511163y

Reference71 articles.

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3. QM/MM Methods for Biomolecular Systems

4. Extending the Power of Quantum Chemistry to Large Systems with the Fragment Molecular Orbital Method

5. Fragmentation Methods: A Route to Accurate Calculations on Large Systems

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