Electric field effects on vibrating polar molecules from weak to strong fields
作者:
KERSTI HERMANSSON,
HARALD TEPPER,
期刊:
Molecular Physics
(Taylor Available online 1996)
卷期:
Volume 89,
issue 5
页码: 1291-1299
ISSN:0026-8976
年代: 1996
DOI:10.1080/002689796173183
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
Vibrational frequency shifts have been calculated at the MP4(aug-cc-pVTZ) and MP4(cc-pVTZ)ab initiolevels for LiH, BH, HF, OH-, HDO, BF, CN-and HC1, in uniform electric fields of varying strength. Vibrational Stark tuning rates as well as strong-field frequency shifts have been computed. All eight molecules studied here display a similar variation of frequency with field: the curves are parabola shaped with negative curvatures. The molecules have different positions of ωmax, but in all cases ωmaxis located close to the field max max strength where ∂µ∥/∂r= 0.
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