Abstract
Within the Hartree-Fock method, we have obtained equations of stationary “coupled” perturbation theory for multielectron systems with two open shells of different symmetry types (Huzinaga method) in the orbital representation. Corrections to the Hartree-Fock orbitals were determined in the form of expansions in unperturbed orbitals, which were calculated in the LCAO approximation in a basis of Slater-type atomic orbitals. Using an optimized basis set of atomic orbitals, we calculated the static polarizability for a number of atoms with two open shells.
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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 6, pp. 726–730, November–December, 2007.
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Malykhanov, Y.B., Eremkin, I.N. Stationary perturbation theory for atoms with two open shells in the Hartree-Fock approximation. J Appl Spectrosc 74, 802–808 (2007). https://doi.org/10.1007/s10812-007-0125-5
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DOI: https://doi.org/10.1007/s10812-007-0125-5