Ionization energies and Koopmans' theorem
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268977500100231
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2. The molecular orbital theory of chemical valency. III. Properties of molecular orbitals
3. 561. Localised molecular orbitals in self-consistent field wave functions. Part IV. Ionisation energies of lone pairs and two-electron bonds
4. Analysis of Koopmans' Theorem
5. The determination of molecular orbitals
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