Electron repulsion potentials of diatomic molecules in the adiabatic basis
F R Vukajlovic; O A Mogilevsky; F R Vukajlovic; Joint Inst. for Nuclear Res., Dubna, Moscow, USSR; O A Mogilevsky; Joint Inst. for Nuclear Res., Dubna, Moscow, USSR
Журнал:
Journal of Physics B: Atomic and Molecular Physics
Дата:
1980-06-14
Аннотация:
General expressions are obtained for the calculation of the matrix elements of the Coulomb repulsion between electrons in two-electron diatomic molecules using the adiabatic basis. Based on these formulae, the algorithm for calculating these matrix elements for a hydrogen molecule in a wide range of internuclear distances is realised. The authors' results are compared with the asymptotic calculations and the previous calculations (1979) in the vicinity of the equilibrium position.
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