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The generalized McMurchie-Davidson algorithm

The McMurchie-Davidson algorithm [111] is used extensively for the calculation of two electron interaction integrals in nonrelativistic electronic structure calculations. The relativistic generalization [112] can be obtained immediately [Pg.176]

Similarly, multi-centre matrix elements of the Breit interaction (91) are given by [Pg.177]

See other pages where The generalized McMurchie-Davidson algorithm is mentioned: [Pg.176]    [Pg.179]   


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