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The semiconductor CdS is generally found in the wurtzite structure. Prior experimental and theoretical results confirm that the semiconductor CdS nanoparticles maintain a wurtzite structure for diameters greater than 6 nm. There is disagreement in the literature for sizes smaller than 6 nm. We use the density-functional theory FIREBALL code and perform(More)
The optical properties of coupled metallic nanorods are studied to investigate the use of coupled plasmonic structures in field-enhanced spectroscopies. Light scattering by coupled nanorods is calculated with the boundary element method, including retardation. The modes of coupled nanorod systems are calculated by the boundary charge method and discussed in(More)
We study the light scattering and surface plasmon resonances of Au nanorods that are commonly used as optical nanoantennas in analogy to dipole radio antennas for chemical and biodetection field-enhanced spectroscopies and scanned-probe microscopies. With the use of the boundary element method, we calculate the nanorod near-field and far-field response to(More)
An automated Fourier Transform Spectroscopic (FTS) solar observatory was established in Darwin, Australia in August 2005. The laboratory is part of the Total Carbon Column Observing Network, and measures atmospheric column abundances of CO 2 and O 2 and other gases. Measured CO 2 columns were calibrated against integrated aircraft profiles obtained during(More)
This is the second in a series of articles describing a wide variety of projects at NIST that synergistically combine physical science and information science. It describes, through examples, how the Scientific Applications and Visualization Group (SAVG) at NIST has utilized high performance parallel computing, visualization, and machine learning to(More)
Many-body levels of optically excited and multiply charged InAs nanocrystals are studied with the semi-empirical tight-binding model. Single-particle levels of unstrained spherical InAs nanocrystals are described by the sp 3 d 5 s* nearest-neighbor tight-binding model including spin-orbit coupling. For optically excited InAs nanocrystals, first-order(More)
Differences in stress for business professionals by sex, age, marital status, stress levels, job classification, having children and pets were investigated. Subjects were 80 business professionals who responded to the Tennessee Stress Scale-L inventory which provides three subscales (Stress Producers, Coping Mechanisms, and Stress Symptoms) and Total(More)
Two cases are illustrated to demonstrate the importance of occupation, in the form of viola playing, in the aetiology of myofascial pain dysfunction. An understanding of the contribution of tension and playing style, together with physical limitations, is emphasised and, consequently, it is acknowledged that modification may be necessary to the formulation(More)
The electron-hole states of semiconductor quantum dots are investigated within the framework of empirical tight-binding descriptions for Si, as an example of an indirect-gap material, and InAs and CdSe as examples of typical III-V and II-VI direct-gap materials. We significantly improve the energies of the single-particle states by optimizing tight-binding(More)