화학공학소재연구정보센터
Chemical Physics Letters, Vol.431, No.1-3, 45-50, 2006
Na(H2O) dynamics following electron detachment from Na-(H2O) anion
The dynamics of Na(H2O) following electron detachment from Na-(H2O) in a zero-point vibrational state was investigated using an ab initio direct molecular-dynamics method. In 96% of the trajectories of Na(H2O), the reorientations of water occurred on the similar to 120 fs time scale. Na-O bond formation was observed in more than 80% of the neutral trajectories. The photodetachment-photoionization spectra using 4.3-5.3 eV photons delayed from electron detachment were calculated for 5 ps. (c) 2006 Elsevier B.V. All rights reserved.