Orbital Optimized Density Functional Theory for Electronic Excited States

Hait, D; Head-Gordon, M

Hait, D; Head-Gordon, M (corresponding author), Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Dept Chem, Berkeley, CA 94720 USA.; Hait, D; Head-Gordon, M (corresponding author), Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA 94720 USA.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021; 12 (19): 4517

Abstract

Density functional theory (DFT) based modeling of electronic excited states is of importance for investigation of the photophysical/photochemical prop......

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