Koopmans’s theorem in the restricted open-shell Hartree–Fock method. II. The second canonical set for orbitals and orbital energies
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3418615
Reference30 articles.
1. Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
2. Koopmans’ theorem in the ROHF method: Canonical form for the Hartree-Fock Hamiltonian
3. Koopmans’ Theorem in the Restricted Open-Shell Hartree−Fock Method. 1. A Variational Approach
4. Analysis of Koopmans' Theorem
5. A newSCF procedure and its applications toab initio calculations of the states of the fluorosulphate radical
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