3 papers
quant-ph2019
A comparison of three ways to measure time-dependent densities with quantum simulators
Jun Yang, James Brown, James Daniel Whitfield
Quantum algorithms are touted as a way around some classically intractable problems such as the simulation of quantum mechanics. At the end of all quantum algorithms is a quantum m…
quant-ph2019
Solver for the electronic V-representation problem of time-dependent density functional theory
James Brown, Jun Yang, James D Whitfield
One route to numerically propagating quantum systems is time-dependent density functional theory (TDDFT). The application of TDDFT to a particular system's time evolution is predic…
physics.chem-ph2018
Basis set convergence of Wilson basis functions for electronic structure
James Brown, James D. Whitfield
There are many ways to numerically represent of chemical systems in order to compute their electronic structure. Basis functions may be localized in real-space (atomic orbitals), i…