LANGEVIN MOLECULAR DYNAMICS DERIVED FROM EHRENFEST DYNAMICS

DOI10.1142/S0218202511005751zbMath1246.82074arXiv0712.3656MaRDI QIDQ2883368

Anders Szepessy

Publication date: 10 May 2012

Published in: Mathematical Models and Methods in Applied Sciences (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/0712.3656

zbMATH Keywords

Langevin equation; Brownian particle; Gibbs distribution; heat bath; ab initio molecular dynamics; Ehrenfest dynamics; Mori-Zwanzig theory; quantum classical molecular dynamics

Mathematics Subject Classification ID

60H10: Stochastic ordinary differential equations (aspects of stochastic analysis)

82C31: Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics

82C10: Quantum dynamics and nonequilibrium statistical mechanics (general)