\textit{Ab initio} quantum mechanics of a cluster of SiH₄ and two H₂ molecules, together with its dimer and trimer

DOI10.1016/J.PHYSLETA.2009.11.039zbMATH Open1235.81141OpenAlexW2049542746MaRDI QIDQ763879FDOQ763879

Authors G. Forte, Giuseppe G. N. Angilella, N. H. March, Renato Pucci

Publication date 2 April 2012

Published in Physics Letters. A (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.physleta.2009.11.039

zbMATH Keywords

di- and tri-clustersground state geometryHartree-Fock plus MP2

Mathematics Subject Classification ID

Molecular physics (81V55) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20)

Recommendations

• Positive ions of \(\mathrm{SiH}_4\): Jahn-teller-like distortions for \(\mathrm{SiH}^+_4\) and eventually molecular collapse on further ionisation.
• Reexamine structures and relative stability of medium-sized silicon clusters: low-lying endohedral fullerene-like clusters \(\text{Si}_{30}\)--\(\text{Si}_{38}\)
• scientific article; zbMATH DE number 2088278
• Quantum mechanics of a simulated trihydrogen dication
• High inertness of W\(\@\text{Si}_{12}\) cluster toward \(\text{O}_{2}\) molecule

Cites work

• Many-Body Theory of Molecules, Clusters, and Condensed Phases
• Note on an Approximation Treatment for Many-Electron Systems
• The relation between the Wentzel-Kramers-Brillouin and the Thomas-Fermi approximations

Cited in

(3)

• High inertness of W\(\@\text{Si}_{12}\) cluster toward \(\text{O}_{2}\) molecule
• Silica fractal atomic clusters saturated with OH.
• Positive ions of \(\mathrm{SiH}_4\): Jahn-teller-like distortions for \(\mathrm{SiH}^+_4\) and eventually molecular collapse on further ionisation.

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