Minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller-Plesset perturbation theories.
We implement the minimax approximation for the decomposition of energy denominators in Laplace-transformed Moller-Plesset perturbation theories. The best approximation is defined by minimizing 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.
Takatsuka
Akio
A
Graduate School of Information Science, Nagoya University, Chikusa-ku, Japan.
Ten-No
Seiichiro
S
Hackbusch
Wolfgang
W