699 citations · 708 across the 5 of their papers we have counts for
5 papers
Structural Hole Traps in III-V Quantum Dots
Ezra Alexander, Alexandra Alexiu, Matthias Kick +1
Non-toxic III-V quantum dots (QDs) are plagued with a higher density of performance-limiting trap states than II-VI and IV-VI QDs. Such trap states are generally understood to aris…
Self-consistent Møller-Plesset Perturbation Theory For Excited States
Hong-Zhou Ye, Troy Van Voorhis
In quantum chemistry, obtaining a system's mean-field solution and incorporating electron correlation in a post Hartree-Fock (HF) manner comprise one of the standard protocols for…
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…
Accurate densities of states for disordered systems from free probability: Live Free or Diagonalize
Matthew Welborn, Jiahao Chen, Troy Van Voorhis
We investigate how free probability allows us to approximate the density of states in tight binding models of disordered electronic systems. Extending our previous studies of the A…
Partial freeness of random matrices
Jiahao Chen, Troy Van Voorhis, Alan Edelman
We investigate the implications of free probability for random matrices. From rules for calculating all possible joint moments of two free random matrices, we develop a notion of p…