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4. Overlap matrix elements
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper1/node4.html22 Sep 1999: 19). (20). where. (21). For the case when. , we note that since the integrand in equation (17) must still only have a simple pole at. -
7. Computational implementation
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper1/node7.html22 Sep 1999: Next: 8. Conclusions Up: Localised spherical-wave basis set Previous: 6. Non-local pseudopotential. 7. Computational implementation. The results in equations (have been written in a form which shows that in general each term can be represented by a
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