Simulation of Electronic Circular Dichroism with Rigid Kohn−Sham Orbitals: A Computational Experiment
Author:
Affiliation:
1. Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nam 2, 16610, Praha 6, Czech Republic
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp982550d
Reference30 articles.
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3. Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory
4. Excitation energies from density functional perturbation theory
5. Malkin, V. G.; Malkina, O.; Eriksson, L. A.; Salahub, R. D. InModern DensityFunctional Theory; Seminario, J. M., Politzer, P., Eds.; Elsevier: Amsterdam, 1995; p 273.
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