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Relations defining the gauge-invariant pseudopotentials
As discussed in Section 2.3, when the gauge
invariance is imposed on the pseudopotential, one obtains a specific set of
constraints on the parameters and terms of the pseudopotential,
which result from the condition of Eq. (21).
At fourth order, the gauge symmetry forces seven parameters of terms listed
in the Table 4 to be specific linear combinations of the four
independent ones, namely,
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(69) |
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(70) |
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(71) |
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(72) |
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(73) |
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(74) |
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(75) |
At sixth order, imposing the gauge symmetry forces 16 terms of the
pseudopotential listed in Table 5 to be specific
linear combinations of 6 independent ones, namely,
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(78) |
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(79) |
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(80) |
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(81) |
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(82) |
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(83) |
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(84) |
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(85) |
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(86) |
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(87) |
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(88) |
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(89) |
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(90) |
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(91) |
Next: Relations between the central-like
Up: Effective pseudopotential for energy
Previous: Time-reversal invariance and hermiticity
Jacek Dobaczewski
2011-03-20