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Author Topic: reference for multipole boundary condition?  (Read 1663 times)

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Offline hzkvictory

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reference for multipole boundary condition?
« on: March 10, 2014, 02:44 »
Could you show the reference for multipole boundary condition. It seems the multipole boundary condition is used to simulate isolated systems, but in molecule configuration, why a default "supercell" is used?
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Offline hzkvictory

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Re: reference for multipole boundary condition?
« Reply #1 on: March 10, 2014, 05:33 »
Is this method used for multipole boundary condition?
http://journals.aps.org/prb/abstract/10.1103/PhysRevB.46.4495
Poisson equation withperiodic boundary conditions: Multipole-expansion solution
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