TY  - CONF
AU  - Milovanović, Gradimir V.
PY  - 2018
UR  - https://dais.sanu.ac.rs/123456789/9083
AB  - We present an efficient procedure for constructing the so-called Gauss-Rys
quadrature formulas and the corresponding polynomials orthogonal on (−1, 1) with respect
to the even weight function w(t; x) = exp(−xt2), where x a positive parameter. Such GaussRys quadrature formulas were investigated earlier e.g. by M. Dupuis, J. Rys, H.F. King [J.
Chem. Phys. 65 (1976), 111 − 116; J. Comput. Chem. 4 (1983), 154 − 157], D.W. Schwenke
[Comput. Phys. Comm. 185 (2014), 762 − 763], and B.D. Shizgal [Comput. Theor. Chem.
1074 (2015), 178 − 184], and were used to evaluate electron repulsion integrals in quantum chemistry computer codes. The approach in this paper is based to a transformation of
quadratures on (−1, 1) with N nodes to ones on (0, 1) with only [(N + 1)/2] nodes and their
construction. The method of modified moments is used for getting recurrence coefficients.
Numerical experiments are included.
PB  - Beograd : Académie Serbe des sciences et des arts
C3  - Bulletin T.CLI de l’Académie serbe des sciences et des arts
T1  - An efficient computation of parameters in the Rys quadrature formula
SP  - 39
EP  - 64
UR  - https://hdl.handle.net/21.15107/rcub_dais_9083
ER  - 

@conference{
author = "Milovanović, Gradimir V.",
year = "2018",
abstract = "We present an efficient procedure for constructing the so-called Gauss-Rys
quadrature formulas and the corresponding polynomials orthogonal on (−1, 1) with respect
to the even weight function w(t; x) = exp(−xt2), where x a positive parameter. Such GaussRys quadrature formulas were investigated earlier e.g. by M. Dupuis, J. Rys, H.F. King [J.
Chem. Phys. 65 (1976), 111 − 116; J. Comput. Chem. 4 (1983), 154 − 157], D.W. Schwenke
[Comput. Phys. Comm. 185 (2014), 762 − 763], and B.D. Shizgal [Comput. Theor. Chem.
1074 (2015), 178 − 184], and were used to evaluate electron repulsion integrals in quantum chemistry computer codes. The approach in this paper is based to a transformation of
quadratures on (−1, 1) with N nodes to ones on (0, 1) with only [(N + 1)/2] nodes and their
construction. The method of modified moments is used for getting recurrence coefficients.
Numerical experiments are included.",
publisher = "Beograd : Académie Serbe des sciences et des arts",
journal = "Bulletin T.CLI de l’Académie serbe des sciences et des arts",
title = "An efficient computation of parameters in the Rys quadrature formula",
pages = "39-64",
url = "https://hdl.handle.net/21.15107/rcub_dais_9083"
}

Milovanović, G. V.. (2018). An efficient computation of parameters in the Rys quadrature formula. in Bulletin T.CLI de l’Académie serbe des sciences et des arts
Beograd : Académie Serbe des sciences et des arts., 39-64.
https://hdl.handle.net/21.15107/rcub_dais_9083

Milovanović GV. An efficient computation of parameters in the Rys quadrature formula. in Bulletin T.CLI de l’Académie serbe des sciences et des arts. 2018;:39-64.
https://hdl.handle.net/21.15107/rcub_dais_9083 .

Milovanović, Gradimir V., "An efficient computation of parameters in the Rys quadrature formula" in Bulletin T.CLI de l’Académie serbe des sciences et des arts (2018):39-64,
https://hdl.handle.net/21.15107/rcub_dais_9083 .