Error function calculation device and error function...

Details Error function calculation device and error function... Error function calculation device and error function...

2004-11-29

2008-11-04

Malzahn, David H (Department: 2193)

Electrical computers: arithmetic processing and calculating

Electrical digital calculating computer

Particular function performed

Reexamination Certificate

active

07447724

ABSTRACT:
An error function calculation device, which performs processing of calculating an error function FM(T) having T (positive real number) as a variable and M (M is an integer of 0 or more) as an order, includes a coefficient table and a calculation section. The coefficient table stores a value of FM+i(T0)/FM(T0) (i is at least one integer among 1 to n, and n is a natural number) calculated for T0, obtained by an n-th order polynomial approximation of the error function FM(T), or a multiplied value which is obtained by multiplying the value of FM+i(T0)/FM(T0) by a constant. The calculation section reads the value of FM+i(T0)/FM(T0) or the multiplied value from the coefficient table, and performs at least a part of the processing of calculating a value of the error function FM(T) by a fixed-point arithmetic using the value of FM+i(T0)/FM(T0) or the multiplied value.

REFERENCES:
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H. Takashima, T. Amisaki, S. Yamaga, et al. “Computing Methods for the Auxiliary s-type Integrals [O](m)by a Molecular Orbital Special-Purpose Machine MOEngine” JCPE Journal, vol. 13, No. 4, p. 241-250 (2001).
S. Obara and A. Saika, “Efficient recursive computation of molecular integrals over Cartesian Gaussian functions” J. Chem. Phys. 84 (7), Apr. 1, 1986.
S. Obara and A. Saika, “General recurrance formulas for molecular integrals over Cartesian Gaussian functions” J. Chem. Phy. 89 (3), Aug. 1, 1988.

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