@article{oai:repo.qst.go.jp:00081803, author = {Kurosaki, Yuzuru and Nakanishi, Ryuzo and Saeki, Morihisa and Oba, Hironori and Yuzuru, Kurosaki and Ryuzo, Nakanishi and Morihisa, Saeki and Hironori, Oba}, journal = {Chemical Physics Letters}, month = {Feb}, note = {We theoretically study double Cl loss from the palladium tetrachloride anion PdCl42- using the ab initio MRCI method. The double Cl loss is probably a significant process in the laser-induced particle formation of Pd in aqueous/EtOH solution which was proposed recently by Saeki et al. (M. Saeki et al., J. Phys. Chem. C 123 (2019) 817). It is predicted that the wave packet created on excited potential energy surfaces (PESs) by the UV irradiation at 266 nm temporally propagates on the PESs and finally spreads over a flat region, where neutral Cl and anionic Cl- are generated.}, title = {Ab initio MRCI study on potential energy surfaces for double Cl loss from the palladium tetrachloride anion PdCl42-}, volume = {764}, year = {2021} }