𝔖 Bobbio Scriptorium
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The ground-state potential curve of the beryllium dimer

✍ Scribed by Margareta R. A. Blomberg; Per E. M. Siegbahn; Björn O. Roos


Book ID
104580155
Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
929 KB
Volume
18
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES


The ground state potential of the beryll
✍ J. Stärck; W. Meyer 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 403 KB

An ab initio X leg Be 2 ground state potential is determined from all-electron SCF/valence-shell MR-CI calculations which account for core-valence correlation by an effective core polarization potential. The position of the minimum is found at R e = 4.627 bohr in full agreement with experiment and t

The beryllium dimer potential
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The convergence of ab initio calculations of the beryllium dimer potential is examined with several basis sets and orders of perturbation theory. When the atomic pair natural orbital basis set calculations are extrapolated to the complete basis set and full CI limits, the calculated parameters: R,=2

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✍ Ahmed A. Hasanein 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 524 KB

Potential energy surface for methyl fluoride dimer has been studied theoretically with ab initio molecular orbital method, using a 4-31G basis set. Dimer dissociation energies, Mulliken electronic populations, and dipole moments were obtained.