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how do I add basis sets for calculation of energy
Submitted by steven burnett ; posted on Tuesday, February 7, 2012
Hi, I have ghemical 2.99 2-1 installed for a class. Everyone else is using gauss view, and when I tried to follow along, I noticed that I was missing a log of basis sets. One of the 1st examples we wanted to find the energy for was methane, and we were using CI method, I could not find it in ghemical. Is there a more up to date library? or those methods currently installed are the only ones it will preform?

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how do I add basis sets for calculation of energy
Submitted by steven burnett ; posted on Tuesday, February 7, 2012
Hi, I have ghemical 2.99 2-1 installed for a class. Everyone else is using gauss view, and when I tried to follow along, I noticed that I was missing a log of basis sets. One of the 1st examples we wanted to find the energy for was methane, and we were using CI method, I could not find it in ghemical. Is there a more up to date library? or those methods currently installed are the only ones it will preform?

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