16 citations · 21 across the 5 of their papers we have counts for
5 papers
Ensemble Time-Dependent Density Functional Theory
Kimberly J. Daas, Steven Crisostomo, Kieron Burke
Time-dependent density functional theory (TDDFT) is a standard approach for calculating optical excitations of molecules and solids, while ensemble DFT (EDFT) is a promising altern…
Exchange-correlation energy from Green's functions
Steven Crisostomo, E. K. U. Gross, Kieron Burke
DFT calculations yield useful ground-state energies and densities, while Green's function techniques (such as ) are mostly used to produce spectral functions. From the Galitski…
Exact Conditions for Ensemble Density Functional Theory
Thais R. Scott, John Kozlowski, Steven Crisostomo +2
Ensemble density functional theory (EDFT) is a promising alternative to time-dependent density functional theory for computing electronic excitation energies. Using coordinate scal…
Seven Useful Questions in Density Functional Theory
Steven Crisostomo, Ryan Pederson, John Kozlowski +6
We explore a variety of unsolved problems in density functional theory, where mathematicians might prove useful. We give the background and context of the different problems, and w…
Can the Hartree-Fock kinetic energy exceed the exact kinetic energy?
Steven Crisostomo, Mel Levy, Kieron Burke
The Hartree-Fock (HF) approximation has been an important tool for quantum-chemical calculations since its earliest appearance in the late 1920s, and remains the starting point of…