Theo Thole as a PhD ''student''

P.T. vanDuijnen

doi:10.1016/s0368-2048(97)00044-3

Theo Thole as a PhD ''student''

P.T. vanDuijnen^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › Academic › peer-review

Abstract

Thee Thole's Ph.D. work was the basis for the Direct Reaction Field method for incorporating a semi-classical ''solvent'' in quantum chemical calculations. The early stages of his work and later progress is reviewed and a typical example of his analytical and programming skills, so far unpublished, is given. (C) 1997 Elsevier Science B.V.

Original language	English
Pages (from-to)	17-21
Number of pages	5
Journal	Journal of Electron Spectroscopy and Related Phenomena
Volume	86
Issue number	1-3
DOIs	https://doi.org/10.1016/s0368-2048(97)00044-3
Publication status	Published - Aug-1997

Keywords

solvent effects
two-electron integrals
reaction field
population analysis

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Theo Thole as a Ph.D. ‘‘student’’
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abstract = "Thee Thole's Ph.D. work was the basis for the Direct Reaction Field method for incorporating a semi-classical ''solvent'' in quantum chemical calculations. The early stages of his work and later progress is reviewed and a typical example of his analytical and programming skills, so far unpublished, is given. (C) 1997 Elsevier Science B.V.",

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Theo Thole as a PhD ''student''

Abstract

Keywords

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