The determination of electronic ground and singlet state wavefunctions of BH
- 1 January 1974
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 35 (3) , 173-181
- https://doi.org/10.1007/bf00546902
Abstract
No abstract availableKeywords
This publication has 11 references indexed in Scilit:
- The use of average natural orbitals for configuration interaction calculations on the Boron Hydride moleculeTheoretical Chemistry Accounts, 1973
- Generalized Bethe-Goldstone calculations on moleculesChemical Physics Letters, 1972
- Theoretical Description of Molecular Rydberg States: B Σ+1 and Lowest Σ+3 States of BHThe Journal of Chemical Physics, 1971
- A new double minimum problem: The B1Σ+ state of BHChemical Physics Letters, 1970
- A new type of wavefunction for BHChemical Physics Letters, 1970
- Electron Correlation and Separated Pair Approximation in Diatomic Molecules. II. Lithium Hydride and Boron HydrideThe Journal of Chemical Physics, 1970
- The electronic structure and molecular properties of boron hydride in its ground and excited statesJournal of Molecular Spectroscopy, 1969
- Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AHThe Journal of Chemical Physics, 1967
- On the spectrum of BH in the near ultravioletJournal of Molecular Spectroscopy, 1967
- Ab Initio Computations in Atoms and MoleculesIBM Journal of Research and Development, 1965