Spin-Extended Hartree–Fock Functions for Atomic Boron
- 1 July 1968
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 49 (1), 6-8
- https://doi.org/10.1063/1.1669860
Abstract
A recently described method for calculating extended Hartree–Fock functions was applied to the ground state of atomic boron. The total energy was −24.5297 hartree. The calculated spin density has the correct sign, but is in poor agreement with experiment.Keywords
This publication has 9 references indexed in Scilit:
- Calculation of Extended Hartree-Fock WavefunctionsThe Journal of Chemical Physics, 1968
- Two-Determinant Spin-Polarized Calculation of the Hyperfine Structure ofPhysical Review B, 1967
- Spin-Projected and Extended SCF CalculationsThe Journal of Chemical Physics, 1967
- Improved Quantum Theory of Many-Electron Systems. I. Construction of Eigenfunctions ofWhich Satisfy Pauli's PrinciplePhysical Review B, 1967
- Calculation of the Hyperfine Constants forandPhysical Review B, 1962
- Exchange Polarization Effects in Hyperfine StructurePhysical Review B, 1961
- NOTE ON THE HYPERFINE STRUCTURE OF THE 2s22p STATE OF BORON 10 AND 11Canadian Journal of Physics, 1960
- Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation EffectsPhysical Review B, 1955
- Hyperfine Structure and Nuclear Electric Quadrupole Moment of Boron 11Physical Review B, 1953