Title of article
An efficient method for calculating effective core potential integrals which involve projection operators
Author/Authors
Skylaris، نويسنده , , Chris-Kriton and Gagliardi، نويسنده , , Laura and Handy، نويسنده , , Nicholas C. and Ioannou، نويسنده , , Andrew G. and Spencer، نويسنده , , Steven and Willetts، نويسنده , , Andrew and Simper، نويسنده , , Adrian M.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1998
Pages
7
From page
445
To page
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.
Journal title
Chemical Physics Letters
Serial Year
1998
Journal title
Chemical Physics Letters
Record number
1775782
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