70 citations · 136 across the 3 of their papers we have counts for
4 papers
Multiplets Matter: The Electronic Structure of Rare-Earth Semiconductors and Semimetals
Leonid V. Pourovskii, Kris T. Delaney, Chris G. Van de Walle +2
We demonstrate that a theoretical framework fully incorporating intra-atomic correlations and multiplet structure of the localized 4f states is required in order to capture the ess…
Trial wave functions for High-Pressure Metallic Hydrogen
Carlo Pierleoni, Kris T. Delaney, Miguel A. Morales +2
Many body trial wave functions are the key ingredient for accurate Quantum Monte Carlo estimates of total electronic energies in many electron systems. In the Coupled Electron-Ion…
Quantum Monte Carlo Simulation of the High-Pressure Molecular-Atomic Crossover in Fluid Hydrogen
Kris T. Delaney, Carlo Pierleoni, D. M. Ceperley
A first-order liquid-liquid phase transition in high-pressure hydrogen between molecular and atomic fluid phases has been predicted in computer simulations using ab initio molecula…
Image states in metal clusters
Patrick Rinke, Kris Delaney, P. Garcia-Gonzalez +1
The existence of image states in small clusters is shown, using a quantum-mechanical many-body approach. We present image state energies and wave functions for spherical jellium cl…