The spin‐density‐functional formalism for quantum mechanical calculations: Test on diatomic molecules with an efficient numerical method
- 1 March 1976
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 10 (2) , 307-323
- https://doi.org/10.1002/qua.560100210
Abstract
No abstract availableKeywords
This publication has 31 references indexed in Scilit:
- Advantages of a Nonharmonic-Oscillator Analysis of Molecular VibrationsPhysical Review Letters, 1974
- Rydberg states in H2OThe Journal of Chemical Physics, 1973
- Non-muffin-tin charge density corrections to multiple-scattering-Xα-methodInternational Journal of Quantum Chemistry, 1973
- Future prospects for the Xα methodInternational Journal of Quantum Chemistry, 1973
- Scattering Model of Molecular Electronic StructurePhysical Review Letters, 1969
- Interaction Energy of Two Ground-State Helium Atoms at Small Internuclear DistancesThe Journal of Chemical Physics, 1967
- Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular IonsThe Journal of Chemical Physics, 1966
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Accurate Electronic Wave Functions for theMoleculeReviews of Modern Physics, 1960
- Correlation Problem in Many‐Electron Quantum Mechanics I. Review of Different Approaches and Discussion of Some Current IdeasAdvances in Chemical Physics, 1958