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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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