Triplet‐singlet splitting of the alkali metal clusters: Example of the Li6 clusters
- 1 August 1990
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 38 (2) , 149-161
- https://doi.org/10.1002/qua.560380210
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- Ab initioconfiguration interaction study of the electronic and geometric structures of small sodium cationic clustersThe Journal of Chemical Physics, 1988
- Investigation of the electronic and geometric structure of small Li anionic clusters with quantum chemical CI procedureThe Journal of Chemical Physics, 1988
- Sodium cluster ionisation potentials revisited: Higher-resolution measurements for Nax (x<23) and their relation to bonding modelsChemical Physics Letters, 1988
- Implementation of the table CI method: Matrix elements between configurations with the same number of open-shellsJournal of Molecular Structure: THEOCHEM, 1985
- Calculated properties of alkali metal clusters with fivefold symmetryThe Journal of Chemical Physics, 1984
- Ab initio CI investigation of the interaction of a hydrogen atom with clusters which model the (100) and (110) surfaces of bcc Li-latticeSurface Science, 1982
- Generalizations of the direct CI method based on the graphical unitary group approach. II. Single and double replacements from any set of reference configurationsThe Journal of Chemical Physics, 1980
- Self-consistent molecular orbital methods. XV. Extended Gaussian-type basis sets for lithium, beryllium, and boronThe Journal of Chemical Physics, 1975
- Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atomsThe Journal of Chemical Physics, 1974
- Configuration interaction calculations on the nitrogen moleculeInternational Journal of Quantum Chemistry, 1974