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Author Topic: DFT LCAO BASIS SET  (Read 2678 times)

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Offline anshul12

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DFT LCAO BASIS SET
« on: September 15, 2012, 19:14 »
Dear QuantumWise,

please send me link or free downloaded eBooks or pdf file for study of nano parameter. bcoz i have more doubt in atk.

1. function of basis set .please clarify basis set parameter like as, szp,szsp dz ,dzp,dzdp.

thanks  &regards


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Offline kstokbro

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Re: DFT LCAO BASIS SET
« Reply #1 on: September 17, 2012, 18:22 »
see:
ww.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/chap.atkdft.html#sect2.atkdft.basisset.parameters
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