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Comparison of classical approximations to free carrier absorption in semiconductors

✍ Scribed by P.A. Schumann Jr.; R.P. Phillips

Publisher
Elsevier Science
Year
1967
Tongue
English
Weight
387 KB
Volume
10
Category
Article
ISSN
0038-1101

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Dispersion and repulsion contributions t
Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model
✍ Carles Curutchet; Modesto Orozco; F. Javier Luque; Benedetta Mennucci; Jacopo To πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 262 KB πŸ‘ 1 views

## Abstract We report a systematic comparison of the dispersion and repulsion contributions to the free energy of solvation determined using quantum mechanical self‐consistent reaction field (QM‐SCRF) and classical methods. In particular, QM‐SCRF computations have been performed using the dispersio