Variational derivation and extensions of distributed approximating functionals

Autor:	Wei Zhu, Mark Arnold, T. L. Marchioro, David K. Hoffman, Donald J. Kouri, Youhong Huang
Rok vydání:	1996
Předmět:	Set (abstract data type) Mathematical optimization Applied Mathematics Standard basis Applied mathematics Order (ring theory) General Chemistry Mathematics
Zdroj:	Journal of Mathematical Chemistry. 20:117-140
ISSN:	1572-8897 0259-9791
DOI:	10.1007/bf01165159
Popis:	Extensions of the "Distributed Approximating Functional” (DAF) approach to approximating functions and their derivatives are given. The method, although inherently approximate, can be made arbitrarily accurate, numerically stable, and computationally efficient by appropriate choice of parameters. It also provides approximate representations of quantum operators which are analytic and which can be accurate. Differences between the DAFs and more standard basis set approaches are discussed in order to clarify the properties of the DAFs. Some illustrative examples are given.
Databáze:	OpenAIRE
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