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A. J. Thakkar

Topography of the Electron Momentum Density in Linear Molecules

The Hessian of the electron momentum density Π(^–p^>) at the zero-momentum critical point is reported for 127 linear molecules. The values are computed from self-consistent-field wave functions in basis sets of Slater-type functions. This data base is used to draw some general conclusions about the topography of Π(^–p^>) in linear molecules.

Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0942-9352
Volume: 215, 10/2001
Pages: 1265

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