Chunping Hu

most citedSecond-order nonadiabatic couplings from time-dependent density functional theory: Evaluation in the immediate vicinity of Jahn-Teller/Renner-Teller intersections

21 citations · 37 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.other2020★ 16 cited

Bias-dependent diffusion of H $_{2}$ O molecules on an Al(111) surface

Satoshi Hagiwara, Chunping Hu, Satomichi Nishihara +1

We investigate the process by which a water molecule diffuses on the surface of an Al(111) electrode under constant bias voltage by first-principles density functional theory. To u…

cond-mat.mtrl-sci2011★ 21 cited

Second-order nonadiabatic couplings from time-dependent density functional theory: Evaluation in the immediate vicinity of Jahn-Teller/Renner-Teller intersections

Chunping Hu, Osamu Sugino, Kazuyuki Watanabe

For a rigorous quantum simulation of nonadiabatic dynamics of electrons and nuclei, knowledge of not only first-order but also second-order nonadiabatic couplings (NAC), is require…

Bias-dependent diffusion of H2​O molecules on an Al(111) surface

Second-order nonadiabatic couplings from time-dependent density functional theory: Evaluation in the immediate vicinity of Jahn-Teller/Renner-Teller intersections

Bias-dependent diffusion of H $_{2}$ O molecules on an Al(111) surface