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SCF wavefunction for the ground state of CN− and the change of the correlation energy in some simple protonation processes

✍ Scribed by Rosanna Bonaccorsi; Carlo Petrongolo; Eolo Scrocco; Jacopo Tomasi

Book ID
107731377
Publisher
Elsevier Science
Year
1969
Tongue
English
Weight
228 KB
Volume
3
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES

Analysis of reduced density matrices in
Analysis of reduced density matrices in the co-ordinate representation. III. Electron density and correlation in the ground states of H2 and the H6 ring system within some approximations of the simple LCAO type
✍ Gunnar Sperber 📂 Article 📅 1972 🏛 John Wiley and Sons 🌐 English ⚖ 683 KB

## Abstract The electron density and spatial correlation as given by the MO, VB and AMO methods for H~2~ and H~6~ are studied by means of diagrams. For comparison, diagrams representing accurate wave functions for H~2~ are also given. The study of model functions representing localized bonds leads