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Calculation of the one-electron two-center integrals with STOS using recurrence-based algorithms

✍ Scribed by J. Fernández Rico; R. López; G. Ramírez

Book ID
118284224
Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
710 KB
Volume
9
Category
Article
ISSN
0192-8651

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Improved algorithm for the calculation o
Improved algorithm for the calculation of one-electron two-center integrals with STOs
✍ J. Fernández Rico; R. López; G. Ramírez 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 467 KB 👁 1 views

In a previous article (J. Fernandez Rico, R. Upez and G. Ramirez, J. Comp. Chem., 9, 790 (1988)) we have proposed the calculation of molecular integrals involving STOs by means of some recurrence relations which use two sets (h and H) of overlap integrals (basic matrices). In the present paper, we d