Hello Group,
I have some probelm using Gaussian - 98 for calculating
hyperpolarizability values.
It"s value depends on where you put the origin.Say if you write
z - matrix with and without dummy atom,you will get different
hyperpolarizability for the same molecule!?!? after all hyperpolarizabilty
is molecular property it shouldnt depend on where you put the origin
right.I need your feed back regarding this problem.
Thanx
best regards,
Senthil Kumar.S.
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