Excited-State Spectra of Strongly Correlated Molecules from a Reduced-Density-Matrix Approach
Author:
Affiliation:
1. Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States
Funder
Division of Chemistry
Army Research Office
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.8b02455
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1. Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons
2. Photoexcited conversion of gauche-1,3-butadiene to bicyclobutane via a conical intersection: Energies and reduced density matrices from the anti-Hermitian contracted Schrödinger equation
3. Toward a systematic molecular orbital theory for excited states
4. Density-Functional Theory for Time-Dependent Systems
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