109 citations · 334 across the 14 of their papers we have counts for
4 papers · 1 filter
How Electronic Dynamics with Pauli Exclusion Produces Fermi-Dirac Statistics
Triet Nguyen, Ravindra Nanguneri, John Parkhill
It is important that any dynamics method approaches the correct population distribution at long times. In this paper, we derive a one-body reduced density matrix dynamics for elect…
More accurate and efficient bath spectral densities from super-resolution
Thomas Markovich, Samuel M. Blau, John Parkhill +4
Quantum transport and other phenomena are typically modeled by coupling the system of interest to an environment, or bath, held at thermal equilibrium. Realistic bath models are at…
Feynman's clock, a new variational principle, and parallel-in-time quantum dynamics
Jarrod R. McClean, John A. Parkhill, Alán Aspuru-Guzik
We introduce a new discrete-time variational principle inspired by the quantum clock originally proposed by Feynman, and use it to write down quantum evolution as a ground state ei…
A correlated-polaron electronic propagator: open electronic dynamics beyond the Born-Oppenheimer approximation
John A. Parkhill, Thomas Markovich, David G. Tempel +1
In this work we develop a theory of correlated many-electron dynamics dressed by the presence of a finite-temperature harmonic bath. The theory is based on the ab-initio Hamiltonia…