New algorithm for the optimization of geometries in local density functional theory
- 1 June 1990
- journal article
- Published by Elsevier BV in Chemical Physics Letters
- Vol. 169 (5), 387-392
- https://doi.org/10.1016/0009-2614(90)87064-x
Abstract
No abstract availableThis publication has 14 references indexed in Scilit:
- On the singlet–triplet splitting in SiH2, GeH2, and SnH2. Local-spin-density calculationsThe Journal of Chemical Physics, 1988
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985
- Model potential calculations for second-row transition metal molecules within the local-spin-density methodThe Journal of Chemical Physics, 1985
- Simultaneous Relaxation of Nuclear Geometries and Electric Charge Densities in Electronic Structure TheoriesPhysical Review Letters, 1983
- The use of model potentials in molecular calculations. IThe Journal of Chemical Physics, 1982
- Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysisCanadian Journal of Physics, 1980
- On first-row diatomic molecules and local density modelsThe Journal of Chemical Physics, 1979
- A new computational approach to Slater’s SCF–Xα equationThe Journal of Chemical Physics, 1975
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964