Relationship between long-range charge-transfer excitation energy error and integer discontinuity in Kohn–Sham theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1633756
Reference18 articles.
1. Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities
2. Excited-state potential energy curves from time-dependent density-functional theory: A cross section of formaldehyde's1A1 manifold
3. Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?
4. Electronic excitation of sulfur-organic compounds - performance of time-dependent density functional theory
5. Performance assessment of density-functional methods for study of charge-transfer complexes
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