Scientific article
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An efficient method for calculating effective core potential integrals which involve projection operators

Published inChemical physics letters, vol. 296, no. 5-6, p. 445-451
Publication date1998
Abstract

An efficient approach for evaluating effective core potential integrals which involve projection operators has been implemented in the MAGIC quantum chemistry program. The methodology is presented and its performance is examined through illustrative calculations on transition metal and actinide compounds.

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Citation (ISO format)
SKYLARIS, Chris-Kriton et al. An efficient method for calculating effective core potential integrals which involve projection operators. In: Chemical physics letters, 1998, vol. 296, n° 5-6, p. 445–451. doi: 10.1016/S0009-2614(98)01077-X
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Journal ISSN0009-2614
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