Molecular dipole moment calculation from Semiempirical methods
bharat
bharats... at gmail.com
Thu Sep 4 12:05:30 UTC 2014
Hello Experts,
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?
Thank you.
Sincerely,
Bharat Sharma
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