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The Effect of Confinement on the Electronic Energy and Polarizability of a Hydrogen Molecular Ion

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Figure

Figure 1. The H 1 2 molecule in an ellipsoidal cavity, where n c is related to the eccentricity of the bounding cavity and Z i is the atomic number of the atom that forms the molecule; r i is the distance between the atomic nucleus and the electron; h i is
Table 3. Values of hx 2 i and hz 2 i calculated for different volumes (V) obtained using the suggested wave function (10) and the results from the literature
Table 5. Numerical results of total electronic energy eigenvalues in the excited state 1r u (E b 1ru ) for cavities of different volumes.
Figure 3. a) Parallel polarizability obtained from ground state (a k ) and first excited state (a k1ru ), and b) perpendicular polarizabilities obtained from ground state (a ? ) and first excited state (a ?1ru ).

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