Application of Novel Nonequilibrium Solvation Theory on Electronic Spectrum and Electron Transfer

• 作 者: Hai-ShengRen[1]Jian-YiMa[2]Xiang-YuanLi[3]
• 机 构: College of Chemistry,Sichuan University,Chengdu 610064,China
• 出 处: 第十二届全国量子化学会议
• 发表日期: 2014年期

　　The electrostatic interaction between solute and solvent molecules will produce the electronic polarization which manifests ultrafast processes in electronic excitation and electron transfer.It means that the system will reach a nonequilibrium state.It is well known that accurate theoretical descriptions of electronic spectra and electron transfer require a proper account of nonequilibrium solute-solvent interaction.Therefore,how to set up a correct nonequilibrium state is a challenge for theorists.