Computer ‘Experiments’ on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules.

Verlet, L. (1967). Computer ‘Experiments’ on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules. Physical Review, 98-103.

Type

Journal article

Intellectual base

Primary research

Year

1967

DOI

10.1103/physrev.159.98

Link

https://journals.aps.org/pr/abstract/10.1103/PhysRev.159.98

Cited by

2 citations across 2 artifacts.

Domain-specific

• Molecular Dynamics
  • … classical equations of motion, and produced time correlations, a self-diffusion estimate, and structural quantities for comparison with experiment. Verlet’s 1967 computer experiments likewise integrated equations of motion for 864 Lennard-Jones particles and used the trajectory to estimate equilibrium properties.
• Verlet Integration
  • Verlet used the position recurrence in 1967 molecular-dynamics simulations of Lennard–Jones fluids.

Verification

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