Patrick Huang

Learn More
Calculations of the electronic structure of solids began decades ago, but only recently have solid-state quantum techniques become sufficiently reliable that their application is nearly as routine as quantum chemistry is for molecules. We aim to introduce chemists to the pros and cons of first-principles methods that can provide atomic-scale insight into(More)
We present new developments on a density-based embedding strategy for the electronic structure of localized feature in periodic, metallic systems [see T. Kluner et al., J. Chem. Phys. 116, 42 (2002), and references therein]. The total system is decomposed into an embedded cluster and a background, where the background density is regarded as fixed. Its(More)
We report an ab initio study of the Kondo states formed from a Co adatom on Cu(111) and Cu(100). The model consists of a CoCun cluster ( n = 5-19) embedded in (111) and (100) Cu slabs. An embedding potential derived from density functional theory treats the interaction between the periodic crystal surroundings and the CoCun cluster, while strong electron(More)
The large-vocabulary name recognition technique is one of the challenging tasks in the application of Chinese speech recognition technology. It can be applied on long-list automatic attendant systems and automatic directory assistance systems. A Chinese name has usually two to three characters with each character pronounced as a single syllable. It is a(More)
We apply an embedded configuration interaction (ECI) theory to study the adsorption of CO on Cu(111), a well-known case where standard approximations to exchange-correlation within density functional theory (DFT) fail qualitatively to predict the correct site preference and quantitatively overbind CO to both hollow and on-top sites. In ECI theory, the(More)
  • 1