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physics.chem-ph2002
Application of time-dependent density-functional theory to electron-ion couplng in ethylene
G. F. Bertsch, J. Giansiracusa, K. Yabana
To examine the applicability of the time-dependent density-functional theory (TDDFT) for treating the electron-nucleus coupling in excited states, we calculate the strength distrib…
cond-mat2002★ 1 cited
Excited states dynamics in time-dependent density functional theory: high-field molecular dissociation and harmonic generation
Alberto Castro, M. A. L. Marques, Julio A. Alonso +2
We present a theoretical description of femtosecond laser induced dynamics of the hydrogen molecule and of singly ionised sodium dimers, based on a real-space, real-time, implement…