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Picture change error correction in the radial distributions of canonical orbital densities and total electron density of radon atom: the effect of the size of nucleus and the basis set limit

✍ Scribed by Lukáš Bučinský; Stanislav Biskupič; Dylan Jayatilaka

Publisher
Springer
Year
2011
Tongue
English
Weight
945 KB
Volume
129
Category
Article
ISSN
1432-2234

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Electron density redistribution in the stabilization of a molecular stacking complex: The nature and correction of basis set superposition errors
✍ Roman Osman; Sid Topiol; Harel Weinstein 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 693 KB

## Abstract The effect of the basis set superposition error (BSSE) on the calculated electronic structure of a molecular stacking complex is analyzed with the counterpoise correction method. The complex between __para__‐hydroxyaniline (PHA) and formamidinium cation (FAM) is calculated __ab initio__