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Orbital angular momentum in triatomic molecules

 

作者: Ch. Jungen,   A.J. Merer,  

 

期刊: Molecular Physics  (Taylor Available online 1980)
卷期: Volume 40, issue 1  

页码: 95-114

 

ISSN:0026-8976

 

年代: 1980

 

DOI:10.1080/00268978000101321

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

The electronic orbital angular momentum effects in theÃ1IIustate of C3have been considered. A very good fit to the observed vibronic energy levels and rotational constants has been obtained using a full matrix treatment of the orbital angular momentum in conjunction with a large amplitude formalism for the bending motion. The importance of the variation of the expectation value <Lz> with bond angle is emphasized; the quality of the final fit is very much improved when this is included. Franck-Condon overlap integrals have been calculated for bands of theÃ1IIu-[Xtilde]1Σg+transition, which is the carrier of the 4050 Å group of bands prominent in cometary spectra. A comparison has been made between the vibronic energy levels of linear and quasi-linear molecules in orbitally degenerate electronic states.

 

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