Theoretical Determination and Analysis of Electronic Charge Distributions
- 1 February 1977
- journal article
- Published by IOP Publishing in Physica Scripta
- Vol. 15 (2) , 147-162
- https://doi.org/10.1088/0031-8949/15/2/007
Abstract
The present status of the accurate calculation of molecular and crystalline charge densities is reviewed critically with emphasis on the role of basis sets and electron correlation. The analysis, interpretation and use of the various types of charge densities are considered in some detail.Keywords
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