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Journal references for EDD
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ams_nanolab
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Journal references for EDD
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on:
February 21, 2017, 13:56 »
Could you point to some Journal references for the electrostatic difference potential , Hartree difference potential calculations?
I can cite the ATK reference manual but that doesn't seem adequate, as I want the original paper references.
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Jess Wellendorff
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Re: Journal references for EDD
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Reply #1 on:
February 21, 2017, 15:26 »
I don't think the EDP is discussed in any detail in DFT literature, it's just basic electrostatics. So there are no original paper references to give. Perhaps simply stating a few of the equations from
http://docs.quantumwise.com/manuals/Types/HartreePotential/HartreePotential.html#hartreepotential-hartree-and-electrostatic
would be enough?
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Jess Wellendorff
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Re: Journal references for EDD
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Reply #2 on:
February 21, 2017, 16:11 »
Actually, the use of Hartree difference potential was introduced in the paper on the SIESTA code:
http://iopscience.iop.org/article/10.1088/0953-8984/14/11/302/pdf
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ams_nanolab
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Re: Journal references for EDD
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Reply #3 on:
February 25, 2017, 15:17 »
Okay, thanks.
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Journal references for EDD