From NWChem
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| 12:08:47 PM PST - Wed, Jan 15th 2014 |
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I am working with the range-separated functional LC-BLYP. In the literature, many authors present the range-separation parameter mu as unitless, while a few present it in inverse bohr. The inverse distance interpretation makes more sense to me, but the NWChem documentation does not say anything about units: the documentation tells us that the default value is mu=0.33, but there are no units. Does anyone know if this is 0.33 inverse bohr? I input the coordinates of my molecule in angstroms, if that matters.
Thanks in advance for any information.
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