Physical Meaning of Virtual Kohn–Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations
Author:
Affiliation:
1. Faculty of Exact Sciences, Theoretical Chemistry, VU University, 1081 HV Amsterdam, The Netherlands
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct500727c
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4. Assessment of TD-DFT methods and of various spin scaled CIS(D) and CC2 versions for the treatment of low-lying valence excitations of large organic dyes
5. On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies
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