Abstract

The Maclaurin expansion of the anisotropic electron momentum density of a linear molecule is considered. The leading coefficients in this expansion can be obtained experimentally. As an aid to analysis of experiments, the six leading Maclaurin coefficients are calculated for 125 linear molecules using self-consistent-field wave functions constructed from large basis sets of Slater-type functions. An analysis of the contributions made by individual molecular orbitals to these coefficients is presented. Periodic trends are also discussed.

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