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Studies on Rydberg orbitals. IV. Basic formulas for the one-electron perturbation calculation of molecular Rydberg excited states
Authors:Haruo Hosoya
Abstract:General expressions are obtained for the energies of complex and real forms of any hydrogenic orbital (n, l, m) in a cluster of point charges of any geometry. This is a perturbation calculation of hydrogenic Rydberg orbitals in a one-electron hard core approximation. A model calculation of 3d-electrons of carbene, ethylene and benzene with varying charge distribution is given.
Keywords:
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