99 citations · 207 across the 3 of their papers we have counts for
7 papers
Population Control Bias and Importance Sampling in Full Configuration Interaction Quantum Monte Carlo
Khaldoon Ghanem, Niklas Liebermann, Ali Alavi
Population control is an essential component of any projector Monte Carlo algorithm. This control mechanism usually introduces a bias in the sampled quantities that is inversely pr…
The Adaptive Shift Method in Full Configuration Interaction Quantum Monte Carlo: Development and Applications
Khaldoon Ghanem, Kai Guther, Ali Alavi
In a recent paper, we proposed the adaptive shift method for correcting the undersampling bias of the initiator-FCIQMC. The method allows faster convergence with the number of walk…
The Ground State Electronic Energy of Benzene
Janus J. Eriksen, Tyler A. Anderson, J. Emiliano Deustua +21
We report on the findings of a blind challenge devoted to determining the frozen-core, full configuration interaction (FCI) ground state energy of the benzene molecule in a standar…
NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J. Anderson, Nick S. Blunt +22
We present NECI, a state-of-the-art implementation of the Full Configuration Interaction Quantum Monte Carlo algorithm, a method based on a stochastic application of the Hamiltonia…
Extending the average spectrum method: Grid points sampling and density averaging
Khaldoon Ghanem, Erik Koch
Analytic continuation of imaginary time or frequency data to the real axis is a crucial step in extracting dynamical properties from quantum Monte Carlo simulations. The average sp…
The Average Spectrum Method for Analytic Continuation: Efficient Blocked Modes Sampling and Dependence on Discretization Grid
Khaldoon Ghanem, Erik Koch
The average spectrum method is a promising approach for the analytic continuation of imaginary time or frequency data to the real axis. It determines the analytic continuation of n…