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www.tddft.org

Fortran 90 program for ab initio virtual experimentation on a range of systems. Electrons are described quantum-mechanically within the Density-Functional Theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.

URLs from www.tddft.org:

URL: http://www.tddft.org/fsatom/programs.php URL: http://www.tddft.org/programs/octopus URL: http://www.tddft.org