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Article
Relativistic Scattered-Wave Theory II. Normalization and Symmetrization
Electrical and Computer Engineering
  • Cary Y. Yang, Santa Clara University
Document Type
Article
Publication Date
3-15-1978
Publisher
American Institute of Physics Publishing
Abstract

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.

Comments

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

Citation Information
C.Y. Yang, “Relativistic Scattered-Wave Theory II. Normalization and Symmetrization,” Journal of Chemical Physics 68, 2626-2629 (1978). https://doi.org/10.1063/1.436095