Abstract
The Gaussian-2 method (G2) is modified by deleting the empirical high-level correction and instead using empirical coefficients to extrapolate to full configuration interaction and an infinite basis set. The resulting method, called multicoefficient Gaussian-2 (MCG2) is less expensive than G2 but a factor of 1.7 more accurate for molecules composed of H and first-row atoms.
Original language | English (US) |
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Pages (from-to) | 11679-11681 |
Number of pages | 3 |
Journal | Journal of Chemical Physics |
Volume | 110 |
Issue number | 24 |
DOIs | |
State | Published - Jun 22 1999 |
Bibliographical note
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