An ab initio CI determination of the low-lying electronic states of B3
- 1 June 1989
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 158 (6) , 545-549
- https://doi.org/10.1016/0009-2614(89)87387-7
Abstract
No abstract availableThis publication has 12 references indexed in Scilit:
- Small Al clusters. I. The effect of basis set and correlation on the geometry of small Al clustersThe Journal of Chemical Physics, 1987
- Generalization of Heisenberg Hamiltonians to non half-filled bands : a magneto-angular effective Hamiltonian for boron clustersJournal de Physique, 1987
- Electronic Structure and Properties of Small Al and Ge ClustersBerichte der Bunsengesellschaft für physikalische Chemie, 1984
- Chemical Bonding and Electronic Structure of Small Homonuclear Clusters of Elements of Groups IA, IIA, IIIA and IVABerichte der Bunsengesellschaft für physikalische Chemie, 1983
- Applicability of a pseudopotential CI method to the investigation of ground and excited states of molecular systems: NaCO, Li2H, Al2 and AlHTheoretical Chemistry Accounts, 1983
- The dynamic Jahn–Teller effect in the electronic ground state of Li3. An a b i n i t i o calculation of the BO hypersurface and the lowest vibronic states of Li3The Journal of Chemical Physics, 1978
- Molecular symmetry and closed‐shell SCF calculations. IInternational Journal of Quantum Chemistry, 1977
- Evaluation of molecular integrals over Gaussian basis functionsThe Journal of Chemical Physics, 1976
- A theoretical method to determine atomic pseudopotentials for electronic structure calculations of molecules and solidsTheoretical Chemistry Accounts, 1975
- Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctionsThe Journal of Chemical Physics, 1973