Rovibrational spectra of bounded diatomic molecules

被引：5
作者：
Lumb, Sonia [1 ]
Lumb, Shalini [2 ]
Prasad, Vinod [3 ]
机构：
[1] Univ Delhi, Rajdhani Coll, Dept Phys & Elect, New Delhi 110015, India
[2] Univ Delhi, Maitreyi Coll, Dept Phys, New Delhi 110021, India
[3] Univ Delhi, SSNC, Dept Phys, Delhi 110036, India
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2017年 / 117卷 / 06期
关键词：
bounded diatomic molecule; Deng-Fan oscillator potential; Stark effect; static polarizability; COLLISION-INDUCED DISSOCIATION; RO-VIBRATIONAL SPECTROSCOPY; HYDROGEN-ATOM; SEMICLASSICAL CALCULATION; POLARIZABILITIES; ORIENTATION; MODEL;
D O I：
10.1002/qua.25339
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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 Schrodinger 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(psi(i)vertical bar r(n)vertical bar psi(j)), n = 1, 2, and 3 have been calculated. These have been used to calculate the 2'-pole static polarizabilities. The variation of bound state energies, matrix elements and 2'-pole static polarizabilities with the boundary radius has also been studied. The Stark effect in case of this bounded system has also been investigated.
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页数：8
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