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Title: Ab initio electron-phonon interactions using atomic orbital wave functions

Authors:
;
Publication Date:
Grant/Contract Number:
AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 97 Journal Issue: 23; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1457479

Agapito, Luis A., and Bernardi, Marco. Ab initio electron-phonon interactions using atomic orbital wave functions. United States: N. p., Web. doi:10.1103/PhysRevB.97.235146.
Agapito, Luis A., & Bernardi, Marco. Ab initio electron-phonon interactions using atomic orbital wave functions. United States. doi:10.1103/PhysRevB.97.235146.
Agapito, Luis A., and Bernardi, Marco. 2018. "Ab initio electron-phonon interactions using atomic orbital wave functions". United States. doi:10.1103/PhysRevB.97.235146.
@article{osti_1457479,
title = {Ab initio electron-phonon interactions using atomic orbital wave functions},
author = {Agapito, Luis A. and Bernardi, Marco},
abstractNote = {},
doi = {10.1103/PhysRevB.97.235146},
journal = {Physical Review B},
number = 23,
volume = 97,
place = {United States},
year = {2018},
month = {6}
}

Works referenced in this record:

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  • DOI: 10.1103/PhysRevLett.77.3865

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