The role of the local-multiplicative Kohn–Sham potential on the description of occupied and unoccupied orbitals
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1308547
Reference79 articles.
1. The density functional formalism, its applications and prospects
2. Absolute hardness: companion parameter to absolute electronegativity
3. Hardness, softness, and the fukui function in the electronic theory of metals and catalysis.
4. Ethylene Molecule in a Gaussian Basis. II. Contracted Bases
5. Excited States of H2O using improved virtual orbitals
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