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...

书目详细资料
Main Authors:	Manolopoulos, D, Dmello, M, Wyatt, R
格式:	Journal article
语言:	English
出版:	1990

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