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USING A ROBUST ∆SCF METHODOLOGY TO SIMULATE VIBRATIONAL SPECTROSCOPY OF EXCITED STATES
USING A ROBUST ∆SCF METHODOLOGY TO SIMULATE VIBRATIONAL SPECTROSCOPY OF EXCITED STATES
2020
Ali Abou Taka
Hrant P. Hratchian
Aurora Pribram-Jones
Hector Corzo
Keywords:
Excited state
Molecular physics
Infrared spectroscopy
Materials science
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