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Gauge-origin-independent approaches

In Eq. (28), A = (1/2)H X R is the value of the vector potential at the nuclear position R of atomic orbital 0 , and fv is an exponential gauge factor. It is clear that this approach allows both the LCAO coefficients and the atomic basis functions to change with the magnetic field. The important effect of using such an expansion is that calculated magnetic properties are independent of the choice of origin for any set of 0 functions.50... [Pg.580]


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Gauge origin

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