A FULLY 3-DIMENSIONAL FINITE-ELEMENT METHOD CALCULATION FOR THE VIBRATIONAL LEVELS OF H2O AND D2O

被引：6
|
作者：
NETO, JJS [1 ]
LINDERBERG, J [1 ]
机构：
[1] AARHUS UNIV, DEPT CHEM, DK-8000 AARHUS, DENMARK
来源：
JOURNAL OF COMPUTATIONAL CHEMISTRY | 1991年 / 12卷 / 10期
关键词：
D O I：
10.1002/jcc.540121011
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A finite element method approach for solving the three-dimensional Schrodinger equation expressed in hyperspherical coordinates is applied to the calculation of rovibrational states of H2O and D2O. Comparisons to experimental values and other theoretical calculations are offered.
引用
收藏
页码：1237 / 1242
页数：6
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