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Yan Alexander Wang
Researcher at University of British Columbia
Publications - 108
Citations - 3236
Yan Alexander Wang is an academic researcher from University of British Columbia. The author has contributed to research in topics: Density functional theory & Carbon nanotube. The author has an hindex of 29, co-authored 107 publications receiving 3054 citations. Previous affiliations of Yan Alexander Wang include Urmia University & University of California, Los Angeles.
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Journal ArticleDOI
Electronic-structure calculations by first-principles density-based embedding of explicitly correlated systems
TL;DR: In this paper, a first-principles embedding theory that combines the salient features of density functional theory (DFT) and traditional quantum chemical methods is presented, which involves constructing a DFT-based embedding potential and then using it as a one-electron operator within a very accurate ab initio calculation.
Journal ArticleDOI
Orbital-free kinetic-energy density functionals with a density-dependent kernel
TL;DR: In this article, a linear-response kinetic energy density function was proposed, which can reproduce the Kohn-Sham results almost exactly for several aluminum bulk phases, with a sensible choice of the uniform background density.
Journal ArticleDOI
Accurate ab initio energetics of extended systems via explicit correlation embedded in a density functional environment
TL;DR: In this paper, a new embedding technique that combines density functional theory (DFT) and explicit electron-correlation techniques is presented, where a periodic-DFT-based embedding potential is constructed as a local one-electron operator within more accurate electron correlation calculations.
Book ChapterDOI
Orbital-Free Kinetic-Energy Density Functional Theory
TL;DR: In this paper, it is shown that the last frontier in DFT is a better representation of the kinetic energy solely in terms of the density, and the density can be solved directly from the TF-HK equation.
Journal ArticleDOI
Periodic density functional embedding theory for complete active space self-consistent field and configuration interaction calculations: Ground and excited states
TL;DR: In this article, an effective embedding potential is calculated by periodic density functional theory (DFT) and is used as a one-electron operator in subsequent cluster calculations, where the interaction of the cluster with the extended condensed phase is taken into account.