Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States
Funder
Basic Energy Sciences
Camille and Henry Dreyfus Foundation
Alexander von Humboldt-Stiftung
Publisher
American Chemical Society (ACS)
Subject
General Medicine,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.accounts.6b00047
Reference49 articles.
1. Mencken, H. L.A Mencken Chrestomathy;Alfred A. Knopf:New York, 1949; Chapter 25, p443.
2. Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
3. Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction
4. A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states
5. Recent Advances in Singlet Fission
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