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Quantum Monte Carlo for electronic excitations of free-base porphyrin

Journal Article · Wed Jan 07 23:00:00 EST 2004 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.1646356· OSTI ID:833567

Aspuru-Guzik, Alan ^[1]; El Akramine, Ouafae; Grossman, Jeffrey C; Lester, Jr, William A

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Research Organization:: Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US)

Sponsoring Organization:: USDOE Director. Office of Science. Office of Basic Energy Sciences. Chemical Sciences Division, Lawrence Livermore National Laboratory Contract W-7405-ENG-48 (US)

DOE Contract Number:: AC03-76SF00098

OSTI ID:: 833567

Report Number(s):: LBNL--54229

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 7 Vol. 120; ISSN JCPSA6; ISSN 0021-9606

Country of Publication:: United States

Language:: English

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ELECTRONIC STRUCTURE
EXCITATION
MONTE CARLO METHOD
PORPHYRINS