Ab initio molecular dynamics simulation of molten KSi
- 1 December 1990
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 2 (S) , SA227-SA231
- https://doi.org/10.1088/0953-8984/2/s/033
Abstract
No abstract availableThis publication has 30 references indexed in Scilit:
- Liquid arsenic: Comparison ofab initioand pair-potential predictions of molecular structurePhysical Review B, 1990
- Thermal expansion ofc-Si viaab initiomolecular dynamicsPhysical Review B, 1990
- Bonding and disorder in liquid siliconPhysical Review Letters, 1989
- Proton diffusion in crystalline siliconPhysical Review Letters, 1989
- Temperature and Segregation Effects in Alkali-Metal Microclusters from ab initio Molecular Dynamics SimulationsEurophysics Letters, 1989
- Equilibrium Structures and Finite Temperature Properties of Silicon Microclusters fromab initioMolecular-Dynamics CalculationsPhysical Review Letters, 1988
- Structural, Dymanical, and Electronic Properties of Amorphous Silicon: Anab initioMolecular-Dynamics StudyPhysical Review Letters, 1988
- Nonlocal pseudopotentials in molecular-dynamical density-functional theory: Application toPhysical Review Letters, 1987
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965