ROTATION-VIBRATIONAL STATES OF D-3(+) COMPUTED USING HYPERSPHERICAL HARMONICS

被引:22
作者
ALIJAH, A [1 ]
WOLNIEWICZ, L [1 ]
HINZE, J [1 ]
机构
[1] NICHOLAS COPERNICUS UNIV, INST PHYS, PL-87100 TORUN, POLAND
关键词
D O I
10.1080/00268979500101711
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
An extensive collection is presented of ro vibrational term values for D-3(+) computed from the highly accurate RKJK potential surface. Band origins are given for energies below 10000 cm(-1). The analysis of the rotational structure includes all vibrational states with up to threefold vibrational excitation, and term values are given up to J = 8 for the states (upsilon(1), upsilon(2)) = (0, 0), (0, 1), (1, 0), (0, 2), (1, 1) and (2, 0), up to J = 6 for the states (2, 1) and (3, 0) and up to J = 5 for the states (0, 3) and (1, 2). The results obtained here are compared with the available experimentally observed transition energies. Of the 11 observed but so far unidentified transitions, two could now be assigned uniquely.
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页码:1125 / 1150
页数:26
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