Molecular dipole moment calculation from Semiempirical methods
bharats... at gmail.com
Thu Sep 4 14:05:30 CEST 2014
Isn't it possible to calculate total molecular dipole moment using
semiempirical methods? I can able to get Total dipole moment with DFT
methods by switching on LOCALIZE and LOCALIZATION tags.
Is there any way to reduce a memory cost for these kinds of calculations?
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