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Title: Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction

Authors:
; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Solar Fuels (UNC EFRC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1387156
DOE Contract Number:  
SC0001011
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 135; Journal Issue: 2; Related Information: UNC partners with University of North Carolina (lead); Duke University; University of Florida; Georgia Institute of Technology; University; North Carolina Central University; Research Triangle Institute; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
catalysis (homogeneous), catalysis (heterogeneous), solar (photovoltaic), solar (fuels), photosynthesis (natural and artificial), hydrogen and fuel cells, electrodes - solar, charge transport, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly)

Citation Formats

Shenvi, Neil, Subotnik, Joseph E., and Yang, Weitao. Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction. United States: N. p., 2011. Web. doi:10.1063/1.3603447.
Shenvi, Neil, Subotnik, Joseph E., & Yang, Weitao. Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction. United States. doi:10.1063/1.3603447.
Shenvi, Neil, Subotnik, Joseph E., and Yang, Weitao. Thu . "Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction". United States. doi:10.1063/1.3603447.
@article{osti_1387156,
title = {Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction},
author = {Shenvi, Neil and Subotnik, Joseph E. and Yang, Weitao},
abstractNote = {},
doi = {10.1063/1.3603447},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 2,
volume = 135,
place = {United States},
year = {2011},
month = {7}
}