V. Milman
Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation
Milman, V.; Refson, K.; Clark, S.J.; Pickard, C.J.; Yates, J.R.; Gao, S. -P.; Hasnip, P.J.; Probert, M.I.J.; Perlov, A.; Segall, M.D.
Authors
K. Refson
Professor Stewart Clark s.j.clark@durham.ac.uk
Professor
C.J. Pickard
J.R. Yates
S. -P. Gao
P.J. Hasnip
M.I.J. Probert
A. Perlov
M.D. Segall
Citation
Milman, V., Refson, K., Clark, S., Pickard, C., Yates, J., Gao, S. -., …Segall, M. (2010). Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation. Journal of molecular structure. Theochem, 954(1-3, SI), 22-35. https://doi.org/10.1016/j.theochem.2009.12.040
| Journal Article Type | Article |
|---|---|
| Publication Date | 2010 |
| Deposit Date | Jan 31, 2012 |
| Journal | Journal of Molecular Structure: THEOCHEM |
| Print ISSN | 0166-1280 |
| Publisher | Elsevier |
| Volume | 954 |
| Issue | 1-3, SI |
| Pages | 22-35 |
| DOI | https://doi.org/10.1016/j.theochem.2009.12.040 |
You might also like
Non-collinear spin in electronic structure calculations
(2023)
Journal Article
Downloadable Citations
About Durham Research Online (DRO)
Administrator e-mail: dro.admin@durham.ac.uk
This application uses the following open-source libraries:
SheetJS Community Edition
Apache License Version 2.0 (http://www.apache.org/licenses/)
PDF.js
Apache License Version 2.0 (http://www.apache.org/licenses/)
Font Awesome
SIL OFL 1.1 (http://scripts.sil.org/OFL)
MIT License (http://opensource.org/licenses/mit-license.html)
CC BY 3.0 ( http://creativecommons.org/licenses/by/3.0/)
Powered by Worktribe © 2024
Advanced Search