Ab-initio calculation, using ab-initio pseudopotentials, of some electronic properties of ethane, methylsilane and disilane
- 15 February 1977
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 20 (1) , 1-7
- https://doi.org/10.1016/0301-0104(77)85107-0
Abstract
No abstract availableKeywords
This publication has 31 references indexed in Scilit:
- Valence electronic structure and internal rotation barrier of the molecules XH3YH3 (X, Y = carbon, silicon, germanium) by a pseudopotential methodJournal of the American Chemical Society, 1976
- Ab initioeffective potentials for use in molecular quantum mechanicsPhysical Review A, 1974
- Valence Electron Studies with Gaussian-Based Model Potentials and Gaussian Basis Functions. II. Discussion of the One-Valence-Electron Molecular Theory and Applications to Li2+, Na2+, and LiH+The Journal of Chemical Physics, 1972
- Valence Electron Studies with Gaussian-Based Model Potentials and Gaussian Basis Functions. I. General Discussion and Applications to the Lowest s and p States of Li and NaThe Journal of Chemical Physics, 1972
- Sign of the dipole moment and other properties of methylsilaneJournal of the American Chemical Society, 1972
- Use of Ab Initio G1 Effective Potentials for Calculations of Molecular Excited StatesThe Journal of Chemical Physics, 1972
- On the Use of Pseudopotentials in the Quantum Theory of Atoms and MoleculesAdvances in Chemical Physics, 1969
- Atomic and Molecular Calculations with the Pseudopotential Method. I. The Binding Energy and Equilibrium Internuclear Distance of the Na2 MoleculeThe Journal of Chemical Physics, 1966
- Über eine vereinfachte Formulierung der Besetzungsvorschrift der Quantenzustände von Atomen und deren Anwendung zur Bestimmung der AtomtermeThe European Physical Journal A, 1941
- über die metallische BindungThe European Physical Journal A, 1935