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...

Полное описание

Библиографические подробности
Главные авторы:	Manolopoulos, D, Dmello, M, Wyatt, R
Формат:	Journal article
Язык:	English
Опубликовано:	1990

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