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Reference program for molecular calculations with Slater-type orbitals

✍ Scribed by Fern�ndez Rico, J.; L�pez, R.; Aguado, A.; Ema, I.; Ram�rez, G.

Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
175 KB
Volume
19
Category
Article
ISSN
0192-8651

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✦ Synopsis

A program for computing all the integrals appearing in molecular calculation with Slater-type orbitals is reported. The program is mainly intended as a reference for testing and comparing other algorithms and techniques. An analysis of the performance of the program is presented, paying special attention to the computational cost and the accuracy of the results. Results are also compared with others obtained with Gaussian basis sets of similar quality.

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