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parallel TDDFT/DFT/MD code for the simulation of organic-inorganic hybrid mat...
International audience -
Improved correlation kernels for linear-response time-dependent density-funct...
Time-dependent density-functional theory (TDDFT) is a density-functional method for calculating excited states. TDDFT is formally exact, though in practice one has to... -
Etats électroniques excités : présentation et performances des méthodes théor...
1 - Tour d'horizon des méthodes 2 - Suppléments théoriques sur la TDDFT 3 - Quelques exemples concrets -
Time-dependent density functional theory applied to clusters and molecules in...
We present recent theoretical and methodological explorations on the dynamics of sodium clusters in the framework of Time-Dependent Density Functional Theory (TDDFT),...
