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N. E. Polygalova
N. E. Polygalova
Russian Academy of Sciences
Computational chemistry
Koopmans' theorem
Ionization
Aufbau principle
Quantum
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On the Ordering of Orbital Energies in the ROHF Method: Koopmans’ Theorem versus Aufbau Principle
2017
Boris N. Plakhutin
A. V. Novikov
N. E. Polygalova
T. E. Prokhorov
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