skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Authors:
; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1484548
Grant/Contract Number:  
SC0004752
Resource Type:
Journal Article: 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
Country of Publication:
United States
Language:
English

Citation Formats

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., 2018. 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. Wed . "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 = {Wed Dec 05 00:00:00 EST 2018},
month = {Wed Dec 05 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on December 5, 2019
Publisher's Accepted Manuscript

Save / Share:

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