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On the numerical evaluation of theJ-integrals

✍ Scribed by Paolo Lanzano


Publisher
Springer Netherlands
Year
1976
Tongue
English
Weight
331 KB
Volume
45
Category
Article
ISSN
0004-640X

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Half-numerical evaluation of pseudopoten
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## Abstract A half‐numeric algorithm for the evaluation of effective core potential integrals over Cartesian Gaussian functions is described. Local and semilocal integrals are separated into two‐dimensional angular and one‐dimensional radial integrals. The angular integrals are evaluated analytical