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Reply to Comment on “Computing molecular electrostatic potentials with the PRISM algorithm”

✍ Scribed by Benny G. Johnson; John A. Pople; Peter M.W. Gill; Douglas J. Fox

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
135 KB
Volume
218
Category
Article
ISSN
0009-2614

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✦ Synopsis

This Reply clarifies the similarities and differences between our work and that of Gadre et al. in computing ab initio molecular electrostatic potentials. The principal advance described by us was to cast the PRISM algorithm for two-electron repulsion integrals in a form suitable for the calculation of molecular electrostatic potentials.

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