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Calculation of diamagnetic susceptibilities and shielding in polyatomic molecules, with analysis of wavefunctions and the importance of multicenter integrals in the theory

✍ Scribed by Robert Rein; George R Pack; James R Rabinowitz

Publisher
Elsevier Science
Year
1972
Weight
669 KB
Volume
6
Category
Article
ISSN
0022-2364

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Efficiency of the algorithms for the cal
Efficiency of the algorithms for the calculation of Slater molecular integrals in polyatomic molecules
✍ J. Fernández Rico; R. López; I. Ema; G. Ramírez 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 96 KB 👁 1 views

## Abstract The performances of the algorithms employed in a previously reported program for the calculation of integrals with Slater‐type orbitals are examined. The integrals are classified in types and the efficiency (in terms of the ratio accuracy/cost) of the algorithm selected for each type is