Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model-Reference-Cited by-同舟云学术

Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model

Published:2013-08-13 Issue:9 Volume:9 Page:3917-3932
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Huix-Rotllant Miquel¹,Filatov Michael²,Gozem Samer³,Schapiro Igor³⁴,Olivucci Massimo³⁵,Ferré Nicolas¹

Affiliation:

1. Aix-Marseille Université, CNRS, Institut de Chimie Radicalaire, 13397 Marseille Cedex 20, France

2. Institut für Physicalische und Theoretische Chemie, Universität Bonn, Beringstr. 4, 53115 Bonn, Germany

3. Department of Chemistry, Bowling Green State University, Bowling Green, Ohio 43402, United States

4. Max Planck Institute for Chemical Energy Conversion, Stiftstr. 34 - 36, Mülheim an der Ruhr, Germany

5. Dipartimento di Chimica, Università di Siena, Siena, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct4003465

Reference66 articles.

1. Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model

2. Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference Methods

3. Self-Consistent Equations Including Exchange and Correlation Effects

4. Dynamic correlation

5. Density functional theory: coverage of dynamic and non-dynamic electron correlation effects

Cited by 95 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Electronic Structure Methods for Simulating Flavin’s Spectroscopy and Photophysics: Comparison of Multi-reference, TD-DFT, and Single-Reference Wave Function Methods;The Journal of Physical Chemistry B;2024-07-29

2. On the Topological Phase around Conical Intersections with Tamm–Dancoff Linear-Response Time-Dependent Density Functional Theory;The Journal of Physical Chemistry A;2024-06-26

3. On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2);The Journal of Chemical Physics;2023-12-07

4. Assessment of the Electron Correlation Treatment on the Quantum-Classical Dynamics of Retinal Protonated Schiff Base Models: XMS-CASPT2, RMS-CASPT2, and REKS Methods;Journal of Chemical Theory and Computation;2023-11-08

5. Doubly Tuned Exchange–Correlation Functionals for Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory;Journal of Chemical Theory and Computation;2023-10-16