Titlebook: Numerical Grid Methods and Their Application to Schr?dinger’s Equation; Charles Cerjan Book 1993 Springer Science+Business Media Dordrecht

說明

Numerical Calculation of Multicentre Integrals for Polyatomic Molecules, calculations in the context of Density Functional Theory emphasized. Various practical integration schemes are analyzed as well as the use of formal group theoretic techniques which are essential to reduce the complexity of the calculations.

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Numerical Grid Methods and Their Application to Schr?dinger’s Equation

CAJ

1389-2185 ce it represents an alternative to standard basis set expansion techniques and might offer distinct advantages to the standard techniques. A deliberate attempt 978-90-481-4308-5978-94-015-8240-7Series ISSN 1389-2185

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滑稽

Book 1993tational viability of grid methods have been largely superseded by applications to specific problems and deeper research into more sophisticated quadrature schemes. Underpinning this research, of course, is the belief that the generic nature of grid methods can enjoy a symbiotic development with adv

FLIRT

Finite Element Method for Quantum Scattering,cessfully applied to a model collinear problem which is analytically soluble and to the collinear H + H. system. Next, a three variable formulation of the co-planar A + BC system is discussed with specific reference to co-planar H + H.. Some comments on the generalization of the technique complete the discussion.