Non-orthogonal basis sets for hyperspherical coordinate calculations on chemical reactions

Non-orthogonal basis sets for hyperspherical coordinate calculations on chemical reactions

In quantum reactive scattering calculations using hyperspherical coordinates a problem can arise in calculating Hamiltonian matrix elements between non-orthogonal basis functions from different reaction arrangement channels. The calculation of these matrix elements is considered here. It is shown th...

书目详细资料
Main Authors:	Pogrebnya, S, Richardson, A, Clary, D
格式:	Journal article
语言:	English
出版:	2001

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