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Finite basis set versus finite difference and finite element methods

✍ Scribed by D. Moncrieff; S. Wilson

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
387 KB
Volume
209
Category
Article
ISSN
0009-2614

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✦ Synopsis

The finite basis set Hartrcc-Fock method is compared with the finite difference and finite element counterparts. A comparison of the total and orbital energies for two diatomic systems demonstrates that the finite basis set approach can afford an accuracy approaching that achieved in finite difference and finite element methods provided that the large and llexible basis sets are systematically constructed. Some advantages of the finite basis set technique (the algebraic approximation) are emphasized.

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