Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems
 
research article

A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems

Yazyev, Oleg V.  
•
Brothers, Edward N.
•
Kudin, Konstantin N.
Show more
2004
The Journal of Chemical Physics

A finite-temp. linear tetrahedron method for electronic structure calcns. of periodic systems is developed. When compared to widely used simple temp. broadening, the no. of k points necessary for accurate integration at finite temps. is reduced. The utility of the method is demonstrated with benchmark calcns. on 1D, 2D, and 3D systems.

  • Details
  • Metrics
Type
research article
DOI
10.1063/1.1768165
Author(s)
Yazyev, Oleg V.  
•
Brothers, Edward N.
•
Kudin, Konstantin N.
•
Scuseria, Gustavo E.
Date Issued

2004

Published in
The Journal of Chemical Physics
Volume

121

Issue

6

Article Number

2466

Peer reviewed

REVIEWED

Written at

OTHER

EPFL units
LCIB  
Available on Infoscience
October 11, 2006
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/235178
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés