论文信息 - Distributed multipole analysis, or how to describe a molecular charge distribution

Distributed multipole analysis, or how to describe a molecular charge distribution

Abstract A method of analysing molecular wavefunctions is described. It can be regarded as an extension of Mulliken population analysis, and can be used both to give a qualitative or quantitative picture of the molecular charge distribution, and in the accurate evaluation of molecular multipole moments of arbitrary order with negligible computational effort.

Anthony J. Stone | A. Stone

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