Excited-state density functional tight-binding for simulation and virtual screening of molecular photophysical properties

Megan Y. Deshaye

11:55 AM - 12:10 PM

[S8-04-CL] Excited-state density functional tight-binding for simulation and virtual screening of molecular photophysical properties

Megan Y. Deshaye¹, Zoe A. Pollard¹, Gunnar J. Carlson¹, Alex T. Wrede¹, Reuben A. Szabo¹, *Tim Kowalczyk¹ (1. Western Washington University (United States of America))

Keywords:DFTB, excitation energy, transition dipole moment, chromophore, time-independent

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Presentation information

S8-4

[S8-04-CL] Excited-state density functional tight-binding for simulation and virtual screening of molecular photophysical properties

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