Theoretical Study on the Spectra of HeNa and HeNa+

Chem. J. Chinese Universities ›› 1989, Vol. 10 ›› Issue (9): 922.

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Theoretical Study on the Spectra of HeNa and HeNa⁺

Chen Demian¹, Huang Mingbao¹, Xin Houwen¹, Gao Yuming²

1. University of Science and Technology of China, Hefei;
2. Anhui Institute of Optics and Fine Mechanics, Acaderma Sinica, Hefei

Received:1988-01-30 Online:1989-09-24 Published:1989-09-24

Abstract

Abstract: In this article we calculate the curves of the ground state ²∑3s, the excited state ²Π3p of the molecule HeNa and the states of ¹Π2p, ³∑3s and ¹∑3s of the cation HeNa+ by using the db initio Molecule-UHFprogram.Furthermore, we calculate the Franck-Condon factors of the excitation from state to state by using the program made by us.The results show that the ground state of HeNa is unstable, the state ²Π3p has a shallow potential well as well as the state ¹Π2p of HeNa+ and the states of ³∑3s and ¹∑3s of the cation have very deep potential wells.

Key words: Potential energy, Franck-Condon factor, Transition from state to state

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Chen Demian, Huang Mingbao, Xin Houwen, Gao Yuming. Theoretical Study on the Spectra of HeNa and HeNa⁺[J]. Chem. J. Chinese Universities, 1989, 10(9): 922.

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Theoretical Study on the Spectra of HeNa and HeNa⁺

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