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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…
physics.chem-ph2000
Application of time-dependent density functional theory to electron-vibration coupling in benzene
A. Schnell, G. F. Bertsch, K. Yabana
Optical properties of symmetry-forbidden pi-pi transitions in benzene are calculated with the time-dependent density functional theory (TDDFT), using an adiabatic LDA functional. Q…