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- W1578018921 abstract "Abstract The convergence of the matrix Hartree-Fock energy, with increasing basis set size, for the isoelectronic series N2, BF, CO, NO+ is examined for three continuum solvation models using systematic sequences of even-tempered basis sets of s- and p-type primitive Gaussian functions. For the quantum Onsager model, the polarized continuum model and the isodensity polarized continuum model, trends in the energy differences, dipole moments and cavity sizes are investigated for systematically extended basis sets." @default.
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- W1578018921 date "1998-01-01" @default.
- W1578018921 modified "2023-09-25" @default.
- W1578018921 title "Systematic Sequences of Even-Tempered Gaussian Primitives for Diatomic Molecules in Solution: A Preliminary Study using Continuum Solvation Models" @default.
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- W1578018921 doi "https://doi.org/10.1016/s0065-3276(08)60418-9" @default.
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