# The quantum dynamics of hydrogen and deuterium on the Pd(111) surface: A path integral transition state theory study

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We present the first molecular simulations of the vaporâ€“liquid surface tension of quantum liquids. The path integral formalism of Feynman was used to account for the quantum mechanical behavior of both the liquid and the vapor. A replica-data parallel algorithm was implemented to achieve...

- Molecular simulation of hydrogen adsorption in single-walled carbon nanotubes and idealized... Qinyu Wang; Johnson, J. Karl // Journal of Chemical Physics;1/1/1999, Vol. 110 Issue 1, p577
Discusses the molecular simulation of hydrogen adsorption in single-walled carbon nanotubes and idealized carbon slit pores. Treatment of hydrogen molecules as structureless spherical particles; Use of the path integral method of Feynman to account for the quantum effects of hydrogen.

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We present an efficient path integral approach for evaluating thermal rate constants within the quantum instanton (QI) approximation that was recently introduced to overcome the quantitative deficiencies of the earlier semiclassical instanton approach [Miller, Zhao, Ceotto, and Yang, J. Chem....

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Mass diffusion coefficients have been measured for the six binary mixtures formed from 3He and 4He with hydrogen, deuterium, and tritium. An intermolecular potential of the Hartreeâ€“Fock-dispersion form is presented which, when employed in the quantum mechanical theoretical evaluation of...

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The Belavkin equation, describing the continuous measurement of the position of a quantum particle, is studied. A rigorous representation of its solution by means of an infinite dimensional oscillatory integral (Feynman path integral) defined on the complex Cameron-Martin space is given.

- The quantum mechanics of cluster melting. Beck, Thomas L.; Doll, J. D.; Freeman, David L. // Journal of Chemical Physics;5/15/1989, Vol. 90 Issue 10, p5651
We present here prototype studies of the effects of quantum mechanics on the melting of clusters. Using equilibrium path integral methods, we examine the melting transition for small rare gas clusters. Argon and neon clusters are considered. We find the quantum-mechanical effects on the melting...

- Continuous QND measurements: no quantum noise. Mensky, M.; Audretsch, J. // Applied Physics B: Lasers & Optics;1997, Vol. 64 Issue 2, p129
.Monitoring an arbitrary observable is analyzed in the framework of Restricted-Path-Integral (RPI) theory of continuous quantum measurements. While in an usual (quantum-demolition) continuous measurement the measurement noise contains both classical and quantum parts, only the classical noise is...

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The propagator in de Sitter space is calculated based on the path integrals. The method of evaluation of path integrals for particles with spin is proposed. The calculations are compared with the quantum mechanical ones.

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The coherent-state representation of quantum-mechanical propagators as well-defined phase-space path integrals involving Wiener measure on continuous phase-space paths in the limit that the diffusion constant diverges is formulated and proved. This construction covers a wide class of...