HIGHLY EXCITED VIBRATIONAL-STATES OF ACETYLENE - A VARIATIONAL CALCULATION

被引：41

作者：

SIBERT, EL ^{[1
]}

MAYRHOFER, RC ^{[1
]}

机构：

[1] UNIV WISCONSIN,INST THEORET CHEM,MADISON,WI 53706

来源：

JOURNAL OF CHEMICAL PHYSICS | 1993年 / 99卷 / 02期

关键词：

D O I：

10.1063/1.465358

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The vibrational states of a planar model of acetylene are obtained using a discrete variable representation. This representation takes advantage of the dynamic separability of high frequency stretching motions and low frequency bending motions. We obtain bend states up to 8770 cm-1 above the zero point energy converged to within +/- 2 cm-1.

引用

页码：937 / 944

页数：8

共 22 条

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