29 citations · 71 across the 5 of their papers we have counts for
6 papers
Correlation energy of the uniform gas determined by ground state conditional probability density functional theory
Dennis Perchak, Ryan J. McCarty, Kieron Burke
Conditional-probability density functional theory (CP-DFT) is a formally exact method for finding correlation energies from Kohn-Sham DFT without evaluating an explicit energy func…
KS-pies: Kohn-Sham Inversion Toolkit
Seungsoo Nam, Ryan J. McCarty, Hansol Park +1
A Kohn-Sham (KS) inversion determines a KS potential and orbitals corresponding to a given electron density, a procedure that has applications in developing and evaluating function…
Bypassing the energy functional in density functional theory: Direct calculation of electronic energies from conditional probability densities
Ryan J. McCarty, Dennis Perchak, Ryan Pederson +4
Density functional calculations can fail for want of an accurate exchange-correlation approximation. The energy can instead be extracted from a sequence of density functional calcu…
Blind Source Separation for NMR Spectra with Negative Intensity
Ryan J. McCarty, Nimish Ronghe, Mandy Woo +1
NMR spectral datasets, especially in systems with limited samples, can be difficult to interpret if they contain multiple chemical components (phases, polymorphs, molecules, crysta…
Comparing Sinc and Harmonic Oscillator Basis for Bound States of a Gaussian Interaction
Mamoon Sharaf, Ryan McCarty, Robert A. M. Basili +1
We investigate the use of the sinc collocation and harmonic oscillator bases for solving a two-particle system bound by a Gaussian potential described by the radial Schrödinger equ…
Classical Electromagnetic Fields from Quantum Sources in Heavy-Ion Collisions
Robert Holliday, Ryan McCarty, Balthazar Peroutka +1
Electromagnetic fields are generated in high energy nuclear collisions by spectator valence protons. These fields are traditionally computed by integrating the Maxwell equations wi…