Non-Born-Oppenheimer corrections in an exactly solvable model of the hydrogen ion molecule

被引:11
|
作者
Pino, R
Mujica, V
机构
[1] Inst Venezolano Invest Cient, Ctr Fis, Caracas 1020A, Venezuela
[2] Inst Venezolano Invest Cient, Ctr Quim, Caracas 1020A, Venezuela
[3] Cent Univ Venezuela, Fac Ciencias, Escuela Quim, Caracas 1020A, Venezuela
关键词
D O I
10.1088/0953-4075/31/20/012
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We have obtained some exact solutions for a solvable model for the hydrogen molecular ion where the Coulomb interaction between the electron and the nuclei is replaced by a harmonic potential. We have also obtained the solutions to this model within the ordinary Born-Oppenheimer (BO) approximation for the electronic and nuclear degrees of freedom. The model shows some of the qualitative features of the real system and allows for a detailed study of non-adiabatic effects on the electronic structure through the calculation of the first-order corrections to the BO approximation, resulting from the nuclear kinetic energy and the vibronic coupling. The results are of interest in the context of non-adiabatic treatment of molecules and for the description of molecules in external magnetic fields.
引用
收藏
页码:4537 / 4544
页数:8
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