Open AccessQuantum Chemical Calculation of the Excited State Potential Energy Surface of H<sub>2</sub>O<sup>＋</sup> Using the CASSCF Method
Author(s) -
Jun Wang,
Yingchun Guo,
Xiaofan Yang,
Steven S. Wu,
Yuyan Liu,
Yangqin Chen
Publication year - 2004
Publication title -
wuli huaxue xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.396
H-Index - 37
ISSN - 1000-6818
DOI - 10.3866/pku.whxb20040819
Subject(s) - excited state , quantum chemical , chemistry , atomic physics , potential energy , potential energy surface , energy (signal processing) , state (computer science) , physics , quantum mechanics , molecule , mathematics , algorithm , organic chemistry