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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.
Ghosh, Soumen; Asher, Jason C; Gagliardi, Laura; Cramer, Christopher J; Govind, Niranjan.
Afiliación
  • Ghosh S; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, USA.
  • Asher JC; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, USA.
  • Gagliardi L; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, USA.
  • Cramer CJ; Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, USA.
  • Govind N; Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99338, USA.
J Chem Phys ; 150(10): 104103, 2019 Mar 14.
Article en En | MEDLINE | ID: mdl-30876354
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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2019 Tipo del documento: Article País de afiliación: Estados Unidos
Texto completo
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XML
PubMed Links
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Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2019 Tipo del documento: Article País de afiliación: Estados Unidos