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A semiempirical effective Hamiltonian based approach for analyzing excited state wave functions and computing excited state absorption spectra using real-time dynamics

Electronic Structure - Modeling Properties

Publication Details

  • Authors: S. Ghosh, J. C. Asher, L. Gagliardi, C. J. Cramer, and N. Govind
  • Publication Number: 324
  • Year: 2019
  • Journal: J. Chem. Phys.

Full Citation

S. Ghosh, J. C. Asher, L. Gagliardi, C. J. Cramer, and N. Govind, A semiempirical effective Hamiltonian based approach for analyzing excited state wave functions and computing excited state absorption spectra using real-time dynamics, J. Chem. Phys., 2019, 150, 104103. DOI: 10.1063/1.5061746