- 作者: 李錫隆; 儲三陽
- 作者服務機構: Department of Chemistry, National Tsing Hua University, Hsinchu, Taiwan, R.O.C.
- 中文摘要:
In this work we discuss some close analogies among various intramolecular charge-transfer systems with high polarizability. They range from sudden-polarization systems concerning two-electron localization to valence-hole and core-hole systems involving only one-electron localization, and the combined situation of valence electron-core hole pair localization. The high polarizability of a two-site (a,b) system is shown to be correlated to the weakness of the electronic coupling integral
between the sites. The hole localization in core-hole states and van der waals ions is compared with that of molecular ions due to solvation effect. The electron-hole pair localization in the core-hole state of the miyed valence system is compared with that in the II/sub g,u/ state of H/sub 2/ due to electron correlation behavior. - 英文摘要: --
- 中文關鍵字: Sudden polarization; core-hole state; valence-hole state; valence electron-core hole pair localization
- 英文關鍵字: Sudden polarization; core-hole state; valence-hole state; valence electron-core hole pair localization