๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

A multicenter numerical integration scheme for polyatomic molecules

โœ Scribed by Becke, A. D.

Book ID
111903099
Publisher
American Institute of Physics
Year
1988
Tongue
English
Weight
778 KB
Volume
88
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

A split explicit integration scheme for
A split explicit integration scheme for numerical weather prediction
โœ A. J. Gadd ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 895 KB

## Abstract An economical explicit integration scheme for numerical weather prediction models is described. A splitting technique is used, in which the horizontal advection terms in the governing equations are integrated with a timestep limited by the wind speed, whilst the terms which describe gra

A numerical integration scheme for itera
A numerical integration scheme for iterative calculations on atomic systems
โœ M. Blakemore; G. A. Evans; J. Hyslop ๐Ÿ“‚ Article ๐Ÿ“… 1977 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 747 KB

## Abstract A recursive numerical integration scheme based on the method of Clenshaw and Curtis is proposed for the efficient implementation of the variationโ€“iteration procedure for the computation of approximate energies and wave functions for atomic systems. Extensive numerical tests are carried

A simple, reliable and efficient scheme
A simple, reliable and efficient scheme for automatic numerical integration
โœ JosรฉM. Pรฉrez-Jordรก; Emilio San-Fabiรกn; Federico Moscardรณ ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 888 KB

A scheme for automatic numerical integration is presented, It uses the change of variable x = 1 +(2/'n-){[I + z2)]z%Ii~~\_arccos z} to transform the integral to be computed, f~f(x)dx. into (16/37r)f' f(xXl-z2)\/ii 7~dz, which is approximated by successive n-points Gauss-Chebyshev quadrature formulas