DP code

DP[1] is a free software package for physicists implementing ab initio linear-response TDDFT (time-dependent density functional theory[2][3]) in frequency-reciprocal space and on a plane wave basis set. It allows to calculate both dielectric spectra, such as EELS (electron energy-loss spectroscopy), IXSS (inelastic X-ray scattering spectroscopy) and CIXS (coherent inelastic X-ray scattering spectroscopy), and also optical spectra, e.g. optical absorption, reflectivity, refraction index. The systems range from periodic/crystalline solids, to surfaces, clusters, molecules and atoms made of insulators, semiconductors and metal elements. It implements the RPA (random phase approximation), the TDLDA or ALDA (adiabatic local-density approximation) plus other non-local approximations, including or neglecting local-field effects. It is distributed under the scientific software open-source academic for free license.

See also

References

  1. ↑ http://www.dp-code.org
  2. ↑ E. Runge and E. K. U. Gross, Phys. Rev. Lett. 52, 997 (1984).
  3. ↑ E. K. U. Gross and W. Kohn, Phys. Rev. Lett. 55, 2850 (1985).

External links


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