Details

Autor(en) / Beteiligte

• LIGHT, J. C
• HAMILTON, I. P
• LILL, J. V

Titel

Generalized discrete variable approximation in quantum mechanics

Ist Teil von

• The Journal of chemical physics, 1985-02, Vol.82 (3), p.1400-1409

Ort / Verlag

Woodbury, NY: American Institute of Physics

Erscheinungsjahr

1985

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The formal definition of the generalized discrete variable representation (DVR) for quantum mechanics and its connection to the usual variational basis representation (VBR) is given. Using the one dimensional Morse oscillator example, we compare the ‘‘Gaussian quadrature’’ DVR, more general DVR’s, and other ‘‘pointwise’’ representations such as the finite difference method and a Simpson’s rule quadrature. The DVR is shown to be accurate in itself, and an efficient representation for optimizing basis set parameters. Extensions to multidimensional problems are discussed.