Orbit-orbit molecular integrals over Gaussian orbitals |
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Authors: | B. W. N. Lo |
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Abstract: | Analytical formulas are derived for integrals of the orbit-orbit operator in the Breit-Pauli Hamiltonian. The present method differs from an earlier one in the introduction of a new auxiliary function Gn(a) which is an integral of Shavitt's Fm(t) function. A method for its evaluation is discussed and some numerical examples are given. |
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