The static polarizability and first hyperpolarizability of the water trimer anion: Ab initio study
writer：Wei Chen, Zhi-Ru Li, Di Wu Feng-Long Gu,Xi-Yun Hao, Bing-Qiang Wang, Ru-Jiao Li, and Chia-Chung Sun
keywords：water trimer; dipole-bound excess electron
source：期刊
Issue time：2004年
This work predicts the extraordinary hyperpolarizability of inorganic clusters: two water trimer
anions. The first hyperpolarizabilities of (H2O)3
2 are considerable, b051.7153107 a.u. for
configuration A and b051.1293107 a.u. for configuration B at MP2/d-aug-cc-pVDZ1x level.