Koopmans’ theorem in the Hartree-Fock method. General formulation
Author:
Affiliation:
1. Laboratory of Quantum Chemistry, Boreskov Institute of Catalysis, Russian Academy of Sciences, Novosibirsk 630090, Russian Federation
Funder
Russian Academy of Sciences and Federal Agency for Scientific Organizations
Russian Foundation for Basic Research
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5019330
Reference70 articles.
1. Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
2. N�herungsmethode zur L�sung des quantenmechanischen Mehrk�rperproblems
3. Theory of the self-consistent field for states with open shells
4. General SCF operator satisfying correct variational condition
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