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PartialMeanFieldOperator
(will be published in fall 2018)
PartialMeanFieldOperator(op,rho,indices) returns a copy of op where any 2-particle terms acting on indices are replaced by Hartree-Fock mean-field theory, using the density rho (compare MeanFieldOperator()).
If the option AddDFTSelfInteraction is set to true the electron-self interaction is added on top to simulate the behaviour encountered in DFT.
Input
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op : An operator.
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rho : A density matrix.
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indices : A list of indices.
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Possible options are:
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AddDFTSelfInteraction : bool defining if the electron self-interaction is to be included (Standard false).
Output
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PMFop : A copy of op, where any 2-particle interaction acting on indices is replaced by mean-field theory.
Example
Input
- Example.Quanty
-- some example code
Result
text produced as output
Table of contents
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