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Title: Development of formalisms based on locally coupled open subsystems for calculations in molecular electronic structure and dynamics

Authors:
; ; ;
Publication Date:
Grant/Contract Number:
SC0004752
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review A
Additional Journal Information:
Journal Name: Physical Review A Journal Volume: 98 Journal Issue: 6; Journal ID: ISSN 2469-9926
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1484548

Mosquera, Martín A., Jones, Leighton O., Ratner, Mark A., and Schatz, George C.. Development of formalisms based on locally coupled open subsystems for calculations in molecular electronic structure and dynamics. United States: N. p., Web. doi:10.1103/PhysRevA.98.062505.
Mosquera, Martín A., Jones, Leighton O., Ratner, Mark A., & Schatz, George C.. Development of formalisms based on locally coupled open subsystems for calculations in molecular electronic structure and dynamics. United States. doi:10.1103/PhysRevA.98.062505.
Mosquera, Martín A., Jones, Leighton O., Ratner, Mark A., and Schatz, George C.. 2018. "Development of formalisms based on locally coupled open subsystems for calculations in molecular electronic structure and dynamics". United States. doi:10.1103/PhysRevA.98.062505.
@article{osti_1484548,
title = {Development of formalisms based on locally coupled open subsystems for calculations in molecular electronic structure and dynamics},
author = {Mosquera, Martín A. and Jones, Leighton O. and Ratner, Mark A. and Schatz, George C.},
abstractNote = {},
doi = {10.1103/PhysRevA.98.062505},
journal = {Physical Review A},
number = 6,
volume = 98,
place = {United States},
year = {2018},
month = {12}
}

Works referenced in this record:

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
journal, September 2010
  • Valiev, M.; Bylaska, E. J.; Govind, N.
  • Computer Physics Communications, Vol. 181, Issue 9, p. 1477-1489
  • DOI: 10.1016/j.cpc.2010.04.018