Systematic sequences of well-balanced Gaussian basis sets
نویسندگان
چکیده
منابع مشابه
Mixed Ramp-Gaussian Basis Sets.
We discuss molecular orbital basis sets that contain both Gaussian and polynomial (ramp) functions. We show that, by modeling ramp-Gaussian products as sums of ramps, all of the required one- and two-electron integrals can be computed quickly and accurately. To illustrate our approach, we construct R-31+G, a mixed ramp-Gaussian basis in which the core basis functions of the 6-31+G basis are rep...
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ژورنال
عنوان ژورنال: Canadian Journal of Chemistry
سال: 1994
ISSN: 0008-4042,1480-3291
DOI: 10.1139/v94-220