Accurate Evaluation of Valence and Low-Lying Rydberg States with Standard Time-Dependent Density Functional Theory-Reference-Cited by-同舟云学术

Accurate Evaluation of Valence and Low-Lying Rydberg States with Standard Time-Dependent Density Functional Theory

Published:2007-06-01 Issue:25 Volume:111 Page:5549-5556
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Ciofini Ilaria¹,Adamo Carlo¹

Affiliation:

1. Laboratoire d'Electrochimie et Chimie Analytique, Ecole Nationale Supérieure de Chimie de Paris, UMR CNRS 7575, 11 rue Pierre et Marie Curie, F-75231 Paris Cedex 05, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0722152

Reference61 articles.

1. Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules

2. Density-Functional Theory for Time-Dependent Systems

3. Photoinduced Intramolecular Electron Transfer in Ruthenium and Osmium Polyads: Insights from Theory

4. Substantial Errors from Time-Dependent Density Functional Theory for the Calculation of Excited States of Large π Systems

5. Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes

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