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American Institute of Physics Publishing


Formalisms for normalization and symmetrization of one‐electron Dirac scattered‐wave wavefunctions are presented. The normalization integral consists of one‐dimensional radial integrals for the spherical regions and an analytic expression for the intersphere region. Symmetrization drastically reduces the size of the secular matrix to be solved. Examples for planar Pb2Se2 and tetrahedral Pd4 are discussed.


Copyright © 1978 American Institute of Physics Publishing. Reprinted with permission.



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