BibSonomy :: publication :: First-principles prediction of redox potentials in transition-metal compounds with $LDA+U$

First-principles prediction of redox potentials in transition-metal compounds with $LDA+U$

F. Zhou, M. Cococcioni, C. A. Marianetti, D. Morgan, and G. Ceder. Phys. Rev. B 70(23):235121 (December 2004)

@article{PRB_70_235121,
  added-at = {2012-10-01T20:53:12.000+0200},
  author = {Zhou, F. and Cococcioni, M. and Marianetti, C. A. and Morgan, D. and Ceder, G.},
  biburl = {http://www.bibsonomy.org/bibtex/2442dc7d1c1b83aaf441dff0395f55b3b/chengguang},
  description = {Phys. Rev. B 70, 235121 (2004): First-principles prediction of redox potentials in transition-metal compounds with LDA+U},
  doi = {10.1103/PhysRevB.70.235121},
  file = {PRB_70_235121.pdf:PDF\\PRB_70_235121.pdf:PDF},
  groups = {public},
  interhash = {c34b1710b22b4054e281a8781a49eb40},
  intrahash = {442dc7d1c1b83aaf441dff0395f55b3b},
  journal = {Phys. Rev. B},
  keywords = {CalculationMethods LDAU},
  month = {December},
  number = 23,
  numpages = {8},
  pages = 235121,
  publisher = {American Physical Society},
  timestamp = {2012-10-01T20:53:12.000+0200},
  title = {First-principles prediction of redox potentials in transition-metal compounds with $\mathrm{LDA}+U$},
  url = {http://link.aps.org/doi/10.1103/PhysRevB.70.235121},
  username = {chengguang},
  volume = 70,
  year = 2004
}

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DOI:	10.1103/PhysRevB.70.235121
URL:	http://link.aps.org/doi/10.1103/PhysRevB.70.235121
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BibTeX key:	PRB_70_235121

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Phys. Rev. B 70, 235121 (2004): First-principles prediction of redox potentials in transition-metal compounds with LDA+U

publication post of chengguang

First-principles prediction of redox potentials in transition-metal compounds with $LDA+U$

discussion

resources (URL, PDF, ...)

Description