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MiS Preprint
45/2008

Minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller-Plesset perturbation theories

Akio Takatsuka, Seiichiro Ten-no and Wolfgang Hackbusch

Abstract

We implement the minimax approximation for the decomposition of energy denominators in Laplace transformed M{\o}ller-Plesset perturbation theories. The best approximation is defined by minimising the Chebyshev norm of the quadrature error. The application to the Laplace-transformed second order perturbation theory clearly shows that the present method is much more accurate than other numerical quadratures. It is also shown that the error in the energy decays almost exponentially with respect to the number of quadrature points.

Received:
Jul 16, 2008
Published:
Jul 16, 2008
Keywords:
exponential sums, separable approximation

Related publications

inJournal
2008 Repository Open Access
Akio Takatsuka, Seiichiro Ten-no and Wolfgang Hackbusch

Minimax approximation for the decomposition of energy denominators in Laplace-transformed Moller-Plesset perturbation theories

In: The journal of chemical physics, 129 (2008) 4, p. 044112