Theoretical studies of molecular scale near-field electron dynamics

Roi Baer*, Daniel Neuhauser

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

Near-field scanning microscopy and nonlinear spectroscopy on a molecular scale involve weakly interacting subsystems that dynamically exchange electrons and electromagnetic energy. The theoretical description of such processes requires unified approach to the electron-near-field dynamics. By considering electronic structure and dynamics of two distant clusters or atoms we show that adiabatic local spin-density approximation (ALSDA) fails to describe (even qualitatively) essential details of electron dynamics in weakly interacting systems. A recently developed functional addresses these ailments within a time-dependent setting. With this method we study the spectroscopy of a composite system, namely, two weakly coupled metallic clusters. The near-field (dipole-dipole) coupling and electron transfer display an interesting interplay, producing exponential sensitivity of emission yield to the intercomponent distance.

Original languageAmerican English
Article number074709
JournalJournal of Chemical Physics
Volume125
Issue number7
DOIs
StatePublished - 2006

Bibliographical note

Funding Information:
This research was funded by the United States-Israel Binational Science Foundation (BSF), the National Science Foundation, and the Petroleum Research Fund.

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