Simulating Two Molecules

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komijani
Newbie
Posts: 3
Joined: Wed May 27, 2015 12:19 pm

Simulating Two Molecules

Post by komijani »

How can I have two molecules (each with two spin systems) that are tilted with respect to each other without introducing the space group? The two spin systems have isotropic g, and they only have B2.
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Stefan Stoll
EasySpin Creator
Posts: 1057
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Simulating Two Molecules

Post by Stefan Stoll »

You can use Exp.MolFrame to tilt the spin centers. If you have a crystal, use the correct space group (or just #1) and Exp.CrystalOrientation[c/].
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