Density functional approximations for orbital energies and total energies of molecules and solids
Author:
Affiliation:
1. Section Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5026951
Reference95 articles.
1. From the Kohn–Sham band gap to the fundamental gap in solids. An integer electron approach
2. Density-functional theory for excited states
3. Relationship of Kohn–Sham eigenvalues to excitation energies
4. The role of the local-multiplicative Kohn–Sham potential on the description of occupied and unoccupied orbitals
5. On the required shape corrections to the local density and generalized gradient approximations to the Kohn–Sham potentials for molecular response calculations of (hyper)polarizabilities and excitation energies
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