Garnet K-L Chan

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We report a novel on-chip Rayleigh imaging technique using wide-field laser illumination to measure optical scattering from individual single-walled carbon nanotubes (SWNTs) on a solid substrate with high spatial and spectral resolution. This method in conjunction with calibrated AFM measurements accurately measures the resonance energies and diameters for(More)
Density matrix embedding theory (DMET) (Knizia, G.; Chan, G. K.-L. Phys. Rev. Lett. 2012, 109, 186404) provides a theoretical framework to treat finite fragments in the presence of a surrounding molecular or bulk environment, even when there is significant correlation or entanglement between the two. In this work, we give a practically oriented and explicit(More)
Although metallic nanostructures are useful for nanoscale optics, all of their key optical properties are determined by their geometry. This makes it difficult to adjust these properties independently, and can restrict applications. Here we use the absolute intensity of Rayleigh scattering to show that single-walled carbon nanotubes can form ideal optical(More)
We present an orbital-optimized version of our orbital-specific-virtuals second-order Møller-Plesset perturbation theory (OSV-MP2). The OSV model is a local correlation ansatz with a small basis of virtual functions for each occupied orbital. It is related to the Pulay-Saebø approach, in which domains of virtual orbitals are drawn from a single set of(More)
Efficient electronic structure methods can be built around efficient tensor representations of the wavefunction. Here we first describe a general view of tensor factorization for the compact representation of electronic wavefunctions. Next, we use this language to construct a low-complexity representation of the doubles amplitudes in local second-order(More)
A novel approach to strongly contracted N-electron valence perturbation theory (SC-NEVPT2) as a means of describing dynamic electron correlation for quantum chemical density matrix renormalization group (DMRG) calculations is presented. In this approach the strongly contracted perturber functions are projected onto a renormalized Hilbert space. Compared to(More)
We have investigated the conductance of individual optically switchable dithienylethene molecules in both their conducting closed configuration and nonconducting open configuration, using the technique of repeatedly formed break-junctions. We employed pyridine groups to link the molecules to gold electrodes in order to achieve relatively well-defined(More)
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