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Single Molecule Optical STM Theory
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Single Molecule Optical STM Theory

July 12, 2010
Imaging molecular orbital of a single magnesium porphine molecule: Scanning tunneling microscope (STM) image (top), calculated (bottom). The Chemistry at the Space-Time Limit Center (CaSTL) at the University of California, Irvine, puts great effort into developing the theoretical framework necessary for understanding the ultrafast-STM measurements on single molecules. Under the guidance of Shaul Mukamel, theoretical effort focused on the development of non-equilibrium, super-operator Greens function theory (NESGFT) for describing the response of a single molecule to an external electric bias/current. For instance, this formalism was applied to calculate the tunneling induced florescence (TIF) spectra of single molecules in an STM junction and compared to measurements. Kieron Burke will lead current efforts that employ a density functional (DFT) approach to zoom in on the details of the molecular response. [Research supported by National Science Foundation grant CHE 05-33162.] (Date of Image: Aug. 4, 2008)