First-principles Molecular Dynamics
- 1 January 1993
- book chapter
- Published by Springer Nature
Abstract
No abstract availableKeywords
This publication has 100 references indexed in Scilit:
- Ab initio molecular dynamics simulation of liquid NaSn alloyJournal of Physics: Condensed Matter, 1992
- The stability of solid and liquid compounds with strong anion-anion interactionsJournal of Physics: Condensed Matter, 1990
- Atomic motions in liquid KPb: A molecular-dynamics investigationPhysical Review B, 1990
- Liquid arsenic: Comparison ofab initioand pair-potential predictions of molecular structurePhysical Review B, 1990
- Thermodynamic properties of liquid Rb-Pb alloysJournal of Physics: Condensed Matter, 1990
- First-principles molecular dynamics for metalsPhysical Review B, 1989
- Simple formula for the atomic forces in the augmented-plane-wave methodPhysical Review B, 1989
- Pseudopotential methods in condensed matter applicationsComputer Physics Reports, 1989
- Structure of liquid K-Pb alloysPhysica B+C, 1987
- Molecular Dynamics andab initioTotal Energy CalculationsPhysical Review Letters, 1986