Compact Real-Space Representation of Excited States Using Frequency-Dependent Explicitly Correlated Electron–Hole Interaction Kernel-Reference-Cited by-同舟云学术

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Compact Real-Space Representation of Excited States Using Frequency-Dependent Explicitly Correlated Electron–Hole Interaction Kernel

Published:2020-07-15 Issue:9 Volume:16 Page:5762-5770
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

McLaughlin Peter F.¹,Chakraborty Arindam¹^ORCID

Affiliation:

1. Department of Chemistry, Syracuse University, Syracuse, New York 13244 United States

Funder

Division of Chemistry

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01238

Reference51 articles.

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

2. Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: A study of ionization potentials

3. Excited state coupled cluster methods

4. The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

5. Strain and screening: Optical properties of a small-diameter carbon nanotube from first principles

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