Constrained Molecular Dynamics Simulations of Atomic Ground-States

Abstract

Constrained molecular dynamics(CoMD) model, previously introduced for nuclear dynamics, has been extended to the atomic structure and collision calculations. Quantum effects corresponding to the Pauli and Heisenberg principle are enforced by constraints, in a parameter-free way. Our calculations for small atomic system, H, He, Li, Be, F reproduce the ground-state binding energies within 3%, compared with the results of quantum mechanical Hartree-Fock calculations.

3 pages, 2 figures

References in corpus (4)

• Constraint Molecular Dynamics approach to Fermionic systems
• Chaos driven fusion enhancement factor at astrophysical energies
• A quasi classical approach to electron impact ionization
• Constrained Molecular Dynamics simulation of the Quark-Gluon Plasma

Cited by in corpus (6)

• The many facets of the (non relativistic) Nuclear Equation of State
• Microscopic dynamical description of proton-induced fission with the Constrained Molecular Dynamics (CoMD) Model
• Spin Quantization in Heavy Ion Collision
• Application of the X-ray laser to muon-catalyzed d-t fusion
• The role of the Heisenberg principle in Constrained Molecular Dynamics model
• Influence of the Electronic Chaotic Motion on the Fusion Dynamics at Astrophysical Energies