Download Exciting Carbon DFT calculation software

August 23, 2021| Chemist
Download Exciting Carbon DFT package

Exciting Carbon DFT software code free download is a  density-functional theory (DFT) full-potential all-electron density-functional-theory package implementing the families of linearized augmented planewave methods in chemistry. It can be applied to all kinds of materials, irrespective of the atomic species involved, and also allows for exploring the physics of core electrons. A particular focus are excited states within many-body perturbation theory.

exciting is an all-electron, full-potential code implementing density-functional theory (DFT) and many-body perturbation theory (MBPT), including a large variety of modules and tools for computing excitated-state properties in any material. It is an open-source code distributed under the GPL license.

exciting is an all-electron full-potential computer package for first-principles calculations, based on (linearized) augmented planewave + local orbital [(L)APW+lo] methods. This family of basis sets is known as the most precise numerical scheme to solve the Kohn-Sham equations of density-functional theory (DFT), reaching up to micro-Hartree precision .

exciting Carbon features include:

  • Ground state DFT with LDA, GGA and hybrid functionals.
  • Time-dependent DFT, both in the frequency domain (with the linear response formalism) [3] and and in the real-time domain .
  • GW in the G0W0 approximation.
  • The Bethe-Salpeter equation for both valence excitations and core excitations.

Download Exciting Carbon DFT

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Categories: Chemistry Software

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