Quantum equations for vibrational dynamics on metal surfaces | Zendy

Vinod Krishna | Zendy

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Quantum equations for vibrational dynamics on metal surfaces

Author(s) -

Vinod Krishna

Publication year - 2006

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.2218843

Subject(s) - langevin equation , quantum limit , physics , quantum dynamics , quantum , classical limit , operator (biology) , coupling (piping) , classical mechanics , quantum mechanics , field (mathematics) , limit (mathematics) , chemistry , mathematics , materials science , mathematical analysis , biochemistry , repressor , transcription factor , pure mathematics , metallurgy , gene

A first-principles treatment of the vibrational dynamics of molecularchemisorbates on metal surfaces is presented. It is shown that the mean fieldquantum evolution of the vibrational position operator is determined by aquantum Langevin equation with an electronic friction. In the mean field limit,the quantum noise and friction are related by the quantumfluctuation-dissipation theorem. The classical limit of this model is shown toagree with previously proposed models. A criterion is presented to describe thevalidity of the weak-coupling approximation and equations of motion for thedynamics in the presence of strong nonadiabatic coupling to electron-hole pairsare presented.

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