A variational path integral molecular dynamics method applied to molecular vibrational fluctuations

DOI10.1080/08927022.2010.543971MaRDI QIDQ4905799zbMATH OpenOpenAlexFDO

Authors Shinichi Miura

Publication date 20 February 2013

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1080/08927022.2010.543971

zbMATH Keywords

molecular dynamicsMorse oscillatorquantum Monte Carlovariational path integralwater molecule

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Path integrals in quantum mechanics (81S40) Molecular physics (81V55)

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Cites work

• A variational path integral molecular dynamics study of a solid helium-4
• scientific article; zbMATH DE number 1779259 (Why is no real title available?)

Cited in

(10)

• A generalization of the molecular dynamics method for calculating quantum-mechanical means
• A variational method to treat diffuse states in weakly bound trimers
• The linear combination of vibrational wave functions (LCVW) method in a Morse-Gaussian double well molecular potential
• Introduction to direct variational and moment methods and an application to the Child-Langmuir law
• Ab Initio Path Integral Simulations of Floppy Molecular Systems
• On variational approximations in quantum molecular dynamics
• Multi-level Monte Carlo path integral molecular dynamics for thermal average calculation in the nonadiabatic regime
• A Perturbative Approach to Control Variates in Molecular Dynamics
• A variational path integral molecular dynamics study of a solid helium-4
• Vibrational isotope effect by the low rank perturbation method

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