Treatment of quantum zero-point energy constraint in simulations of molecular dynamics

DOI10.1108/02644401111131911zbMATH Open1284.82011OpenAlexW2051346289MaRDI QIDQ5406795FDOQ5406795

Authors: Shigeru Tada 

Publication date: 4 April 2014

Published in: Engineering Computations (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1108/02644401111131911

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zbMATH Keywords

energysimulationdynamicsmechanics

Mathematics Subject Classification ID

Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20)

Cited In (2)

• Tonelli Principle: Finite Reduction and Fixed Energy Molecular Dynamics Trajectories
• Zero point energy of the Pullen-Edmonds Hamiltonian

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