Rovibrational spectra of bounded diatomic molecules
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- 作者：Sonia Lumb ; Shalini Lumb and Vinod Prasad
- 刊名：International Journal of Quantum Chemistry
- 出版年：2017
- 出版时间：March 15, 2017
- 年：2017
- 卷：117
- 期：6
- 全文大小：1002K
- ISSN：1097-461X
文摘
Spectra of a bounded diatomic molecule is studied numerically. Shifted Deng–Fan oscillator potential has been used to model the molecule. The accurate five-point finite difference method has been used to solve the Schrödinger equation for rovibrational motion of the molecule. The energies of the bound states as well as free states of the molecule have been calculated. In addition, radial matrix elements like , n = 1, 2, and 3 have been calculated. These have been used to calculate the -pole static polarizabilities. The variation of bound state energies, matrix elements and -pole static polarizabilities with the boundary radius has also been studied. The Stark effect in case of this bounded system has also been investigated.