11 citations · 43 across the 7 of their papers we have counts for
7 papers
An improved penalty-based excited-state variational Monte Carlo approach with deep-learning ansatzes
P. Bernát Szabó, Zeno Schätzle, Mike T. Entwistle +1
We introduce several improvements to the penalty-based variational quantum Monte Carlo (VMC) algorithm for computing electronic excited states of Entwistle [M. T.…
Electronic excited states in deep variational Monte Carlo
Mike Entwistle, Zeno Schätzle, Paolo A. Erdman +2
Obtaining accurate ground and low-lying excited states of electronic systems is crucial in a multitude of important applications. One ab initio method for solving the Schrödinger e…
Accurate Total Energies from the Adiabatic-Connection Fluctuation-Dissipation Theorem
Nick D. Woods, Michael T. Entwistle, Rex W. Godby
In the context of inhomogeneous one-dimensional finite systems, recent numerical advances [Phys. Rev. B 103, 125155 (2021)] allow us to compute the exact coupling-constant dependen…
Insights From Exact Exchange-Correlation Kernels
N. D. Woods, M. T. Entwistle, R. W. Godby
The exact exchange-correlation (xc) kernel of linear response time-dependent density functional theory is computed over a wide range of frequencies, for thr…
Exact non-adiabatic part of the Kohn-Sham potential and its fluidic approximation
Mike Entwistle, Rex Godby
We present a simple geometrical "fluidic" approximation to the non-adiabatic part of the Kohn-Sham potential, , of time-dependent density functional theory. This p…
Exact exchange-correlation kernels for optical spectra of model systems
Mike Entwistle, Rex Godby
For two prototype systems, we calculate the exact exchange-correlation kernels of time-dependent density functional theory. , the key qua…
Comparison of local density functionals based on electron gas and finite systems
Mike Entwistle, Michele Casula, Rex Godby
A widely used approximation to the exchange-correlation functional in density functional theory is the local density approximation (LDA), typically derived from the properties of t…