Response to “Comment on ‘High order finite difference algorithms for solving the Schrödinger equation in molecular dynamics’ ” [J. Chem. Phys. 115 , 6794 (2001)]

The comment of Mazziotti about the classification of the Lagrange distributed approximating functional method as a finite difference method is answered. Furthermore, the relations of high order finite difference approximation of the Laplacian of the Schrödinger equation to well known pseudospectral...

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Veröffentlicht in:The Journal of chemical physics 2001-10, Vol.115 (14), p.6796-6797
Hauptverfasser: Guantes, Raul, Farantos, Stavros C.
Format: Artikel
Sprache:eng
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Zusammenfassung:The comment of Mazziotti about the classification of the Lagrange distributed approximating functional method as a finite difference method is answered. Furthermore, the relations of high order finite difference approximation of the Laplacian of the Schrödinger equation to well known pseudospectral techniques such as the fast Fourier transform and discrete variable representations are clarified.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1400784