activity
19962010
most citedApplication of time-dependent density functional theory to optical activity

129 citations · 480 across the 9 of their papers we have counts for

collaborators

9 papers

physics.chem-ph2010★ 43 cited

Magnetic circular dichroism in real-time time-dependent density functional theory

K. -M. Lee, K. Yabana, G. F. Bertsch

We apply the adiabatic time-dependent density functional theory to magnetic ci the real-space, real-time computational method. The standard formulas for the MCD response and its A…

nucl-th2006★ 17 cited

Fusion reaction of halo nuclei: A real-time wave-packet method for three-body tunneling dynamics

T. Nakatsukasa, M. Ito, K. Yabana +1

We investigate fusion cross section of a nucleus with a valence neutron, using the time-dependent wave-packet method. For a stable projectile, in which the valence neutron is tight…

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.atm-clus2001★ 52 cited

Can optical spectroscopy directly elucidate the ground state of C20?

Alberto Castro, M. A. L. Marques, Julio A. Alonso +3

The optical response of the lowest energy members of the C20 family is calculated using time-dependent density functional theory within a real-space, real-time scheme. Significant…

physics.atm-clus1999★ 111 cited

Optical response of small silver clusters

K. Yabana, G. F. Bertsch

The time-dependent local density approximation is applied to the optical response of the silver clusters, Ag_2, Ag_3, Ag_8 and Ag_9^+. The calculation includes all the electrons be…

physics.chem-ph1998★ 129 cited

Application of time-dependent density functional theory to optical activity

K. Yabana, G. F. Bertsch

As part of a general study of the time-dependent local density approximation (TDLDA), we here report calculations of optical activity of chiral molecules. The theory automatically…