✦ LIBER ✦

Statistical Mechanics of Mean Field Ehrenfest Quantum/Classical Molecular Dynamics: The Damped Harmonic Oscillator †

✍ Scribed by Käb, Günter

Book ID: 127354062
Publisher: American Chemical Society
Year: 2004
Tongue: English
Weight: 183 KB
Volume: 108
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp048891a

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Classical and quantum mechanics of the d

Classical and quantum mechanics of the damped harmonic oscillator

✍ Dekker H. 📂 Library 📅 1981 🌐 English ⚖ 1 MB

A variational principle and the classica

A variational principle and the classical and quantum mechanics of the damped harmonic oscillator

✍ Herrera, L. 📂 Article 📅 1986 🏛 American Institute of Physics 🌐 English ⚖ 613 KB

Statistical-mechanical description of cl

Statistical-mechanical description of classical test-particle dynamics in the presence of an external force field: modelling noise and damping from first principles

✍ I. Kourakis; A. P. Grecos 📂 Article 📅 2006 🏛 Springer 🌐 English ⚖ 170 KB

Temperature dependence of structure and

Temperature dependence of structure and dynamics of the hydrated Ca2+ ion according to ab initio quantum mechanical charge field and classical molecular dynamics

✍ Len Herald V. Lim; Andreas B. Pribil; Andreas E. Ellmerer; Bernhard R. Randolf; 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 252 KB 👁 2 views

## Abstract Simulations using __ab initio__ quantum mechanical charge field molecular dynamics (QMCF MD) and classical molecular dynamics using two‐body and three‐body potentials were performed to investigate the hydration of the Ca^2+^ ion at different temperatures. Results from the simulations de