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Title

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

Authors
Skylaris, Chris-Kriton
Handy, Nicholas C.
Ioannou, Andrew G.
Spencer, Steven
Willetts, Andrew
Simper, Adrian M.
Published in Chemical Physics Letters. 1998, vol. 296, no. 5-6, p. 445-451
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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Research group Groupe Gagliardi
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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. https://archive-ouverte.unige.ch/unige:2954

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Deposited on : 2009-09-21

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