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- W2078667791 abstract "Severe mathematical difficulties arise in the calculation of molecular integrals with exponentially decaying functions, particularly in the case of polyatomic molecules and heavy atom compounds. In an attempt to overcome this, the Σ-separation approach was chosen as the basis for a numerically advanced tabulation—restoration algorithm." @default.
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- W2078667791 date "1992-10-01" @default.
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- W2078667791 title "Calculation of molecular electronic structure with the help of the Σ-separation method: preliminary results and prospective development" @default.
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- W2078667791 doi "https://doi.org/10.1016/0022-2860(92)80036-h" @default.
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