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- W2032376906 abstract "Two center exchange and three center integrals required for MO calculations can be calculated very rapidly using a limited linear expansion of two center charge distributions including, for integrals involving second row atoms, only atomic orbitals up to n = 2. Results for the total energy and the dipole moment for BH, NH, FH, N2, C2, F2, CO, BF and H2O are shown to be very close to the values obtained from accurate calculations using the same basis set." @default.
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- W2032376906 date "1969-09-01" @default.
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- W2032376906 title "A limited expansion method for electron repulsion integrals" @default.
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