Comparison of Length, Velocity, and Symmetric Gauges for the Calculation of Absorption and Electric Circular Dichroism Spectra with Real-Time Time-Dependent Density Functional Theory-Reference-Cited by-同舟云学术

Comparison of Length, Velocity, and Symmetric Gauges for the Calculation of Absorption and Electric Circular Dichroism Spectra with Real-Time Time-Dependent Density Functional Theory

Published:2022-08-30 Issue:9 Volume:18 Page:5513-5526
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mattiat Johann¹,Luber Sandra¹^ORCID

Affiliation:

1. Department of Chemistry, University of Zurich, Zurich 8057, Switzerland

Funder

Universit?t Z?rich

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00644

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