OPTIMUM RATIONAL VERSIONS OF EFFECTIVE ROTATIONAL HAMILTONIAN OPERATOR OF THE SYMMETRICAL TOP-TYPE MOLECULE - APPLICATION TO THE PH3 MOLECULE IN THE GROUND-STATE

被引:10
作者
BURENIN, AV
机构
[1] Institute of Applied Physics, Academy of Sciences of the USSR, Gorky, 603600
关键词
D O I
10.1080/00268979200100241
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 construction of optimum versions of a rational expansion of the effective rotational Hamiltonian operator for symmetric top-type molecules in a non-degenerate vibrational state is considered, using as an example molecules with a point group symmetry C3v. The high efficiency of the optimum versions obtained has been demonstrated when applied to the rotational spectrum of PH3 in its ground state.
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页码:305 / 309
页数:5
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