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Title: Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians

Authors:
ORCiD logo [1] ;  [2] ; ORCiD logo [1] ; ORCiD logo [1] ;  [2]
  1. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States
  2. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99338, United States
Publication Date:
Grant/Contract Number:
SC0008666; KC-030106062653
Type:
Published Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Name: Journal of Chemical Theory and Computation Journal Volume: 13 Journal Issue: 9; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1414779

Ghosh, Soumen, Andersen, Amity, Gagliardi, Laura, Cramer, Christopher J., and Govind, Niranjan. Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians. United States: N. p., Web. doi:10.1021/acs.jctc.7b00618.
Ghosh, Soumen, Andersen, Amity, Gagliardi, Laura, Cramer, Christopher J., & Govind, Niranjan. Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians. United States. doi:10.1021/acs.jctc.7b00618.
Ghosh, Soumen, Andersen, Amity, Gagliardi, Laura, Cramer, Christopher J., and Govind, Niranjan. 2017. "Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians". United States. doi:10.1021/acs.jctc.7b00618.
@article{osti_1414779,
title = {Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians},
author = {Ghosh, Soumen and Andersen, Amity and Gagliardi, Laura and Cramer, Christopher J. and Govind, Niranjan},
abstractNote = {},
doi = {10.1021/acs.jctc.7b00618},
journal = {Journal of Chemical Theory and Computation},
number = 9,
volume = 13,
place = {United States},
year = {2017},
month = {9}
}