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2 - Density Functional Theory

from Part I - First-Principles Calculations

Published online by Cambridge University Press:  12 October 2022

Shaofan Li  and
Jun Li
Shaofan Li
Affiliation:
University of California, Berkeley
Jun Li
Affiliation:
Wuhan University of Technology
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Keywords

Multi-body Schrodinger equationElectron densityHartree–Fock approximationHohenberg and Kohn theoremsKohn–Sham formalism
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Introduction to Computational Nanomechanics
Multiscale and Statistical Simulations
 , pp. 35 - 51
Publisher: Cambridge University Press
Print publication year: 2022

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  • Density Functional Theory
  • Shaofan Li, University of California, Berkeley, Jun Li
  • Book: Introduction to Computational Nanomechanics
  • Online publication: 12 October 2022
  • Chapter DOI: https://doi.org/10.1017/9780511894770.005
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  • Density Functional Theory
  • Shaofan Li, University of California, Berkeley, Jun Li
  • Book: Introduction to Computational Nanomechanics
  • Online publication: 12 October 2022
  • Chapter DOI: https://doi.org/10.1017/9780511894770.005
Available formats
×

Save book to Google Drive

To save content items to your account, please confirm that you agree to abide by our usage policies. If this is the first time you use this feature, you will be asked to authorise Cambridge Core to connect with your account. Find out more about saving content to Google Drive.

  • Density Functional Theory
  • Shaofan Li, University of California, Berkeley, Jun Li
  • Book: Introduction to Computational Nanomechanics
  • Online publication: 12 October 2022
  • Chapter DOI: https://doi.org/10.1017/9780511894770.005
Available formats
×