TRANSLATIONAL BASIS SET CONTRACTION IN VARIATIONAL REACTIVE SCATTERING

TRANSLATIONAL BASIS SET CONTRACTION IN VARIATIONAL REACTIVE SCATTERING

A new translational basis set is introduced for quantum reactive scattering calculations that use the log derivative version of the Kohn variational principle. This basis set, which is similar in many respects to that used in electron-atom scattering calculations by Burke and Robb, is obtained by co...

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Dades bibliogràfiques
Autors principals:	Manolopoulos, D, Dmello, M, Wyatt, R
Format:	Journal article
Idioma:	English
Publicat:	1990

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