Molecular energy level shifts in large boxes: use of the Kirkwood-Buckingham method
Vladimir I Pupyshev; Andrei V Scherbinin; Vladimir I Pupyshev; Laboratory of Molecular Structure and Quantum Mechanics, Department of Chemistry, Moscow State University, Moscow, 119899, Russian Federation; Andrei V Scherbinin; Laboratory of Molecular Structure and Quantum Mechanics, Department of Chemistry, Moscow State University, Moscow, 119899, Russian Federation
Журнал:
Journal of Physics B: Atomic, Molecular and Optical Physics
Дата:
1999-10-14
Аннотация:
A general asymptotic estimate is derived for the molecular energy level shifts caused by the encapsulation of the system into a spherical impenetrable box of a large radius R. The value of the shift is proved to be exponentially small with respect to both R and B<sub>i</sub> = 2(2I<sub>i</sub>)<sup>1/2</sup>, where I<sub>i</sub> is the lowest ionization potential in the ith state of the non-confined `free' system.
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