Quantum-chemical molecular dynamics applied toS-Pmetals
- 15 January 1990
- journal article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 41 (2) , 913-919
- https://doi.org/10.1103/physrevb.41.913
Abstract
No abstract availableThis publication has 22 references indexed in Scilit:
- Proton diffusion in crystalline siliconPhysical Review Letters, 1989
- Model of metallic cohesion: The embedded-atom methodPhysical Review B, 1989
- Magnetism and local order:Ab initiotight-binding theoryPhysical Review B, 1989
- Self-diffusion and impurity diffusion of fee metals using the five-frequency model and the Embedded Atom MethodJournal of Materials Research, 1989
- Electronic structure and geometries of heteroatomic clustersPhysical Review B, 1988
- Structural, Dymanical, and Electronic Properties of Amorphous Silicon: Anab initioMolecular-Dynamics StudyPhysical Review Letters, 1988
- Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloysPhysical Review B, 1986
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985
- Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metalsPhysical Review B, 1984
- Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in MetalsPhysical Review Letters, 1983