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Title: First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network

Authors:
; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1512544
Grant/Contract Number:  
SC0012575; AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 99 Journal Issue: 20; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Xu, Jianhang, Chen, Mohan, Zhang, Cui, and Wu, Xifan. First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network. United States: N. p., 2019. Web. doi:10.1103/PhysRevB.99.205123.
Xu, Jianhang, Chen, Mohan, Zhang, Cui, & Wu, Xifan. First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network. United States. doi:10.1103/PhysRevB.99.205123.
Xu, Jianhang, Chen, Mohan, Zhang, Cui, and Wu, Xifan. Tue . "First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network". United States. doi:10.1103/PhysRevB.99.205123.
@article{osti_1512544,
title = {First-principles study of the infrared spectrum in liquid water from a systematically improved description of H-bond network},
author = {Xu, Jianhang and Chen, Mohan and Zhang, Cui and Wu, Xifan},
abstractNote = {},
doi = {10.1103/PhysRevB.99.205123},
journal = {Physical Review B},
number = 20,
volume = 99,
place = {United States},
year = {2019},
month = {5}
}

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Inhomogeneous Electron Gas
journal, November 1964


Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965