99 citations · 240 across the 4 of their papers we have counts for
6 papers
Reduced Density Matrix Sampling: Self-consistent Embedding and Multiscale Electronic Structure on Current Generation Quantum Computers
Jules Tilly, P. V. Sriluckshmy, Akashkumar Patel +6
We investigate fully self-consistent multiscale quantum-classical algorithms on current generation superconducting quantum computers, in a unified approach to tackle the correlated…
Four-component Full Configuration Interaction Quantum Monte Carlo for Relativistic Correlated Electron Problems
Robert J. Anderson, George H. Booth
An adaptation of the full configuration interaction quantum Monte Carlo (FCIQMC) method is presented, for correlated electron problems containing heavy elements and the presence of…
Improved Stochastic Multireference Perturbation Theory for Correlated Systems with Large Active Spaces
James J. Halson, Robert J. Anderson, George H. Booth
We identify the dominant computational cost within the recently introduced stochastic and internally contracted FCIQMC-NEVPT2 method for large active space sizes. This arises from…
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…
Efficient and Stochastic Multireference Perturbation Theory for Large Active Spaces within a Full Configuration Interaction Quantum Monte Carlo Framework
Robert J. Anderson, Toru Shiozaki, George H. Booth
Full Configuration Interaction Quantum Monte Carlo (FCIQMC) has been effectively applied to very large configuration interaction (CI) problems, and was recently adapted for use as…
Direct comparison of many-body methods for realistic electronic Hamiltonians
Kiel T. Williams, Yuan Yao, Jia Li +22
A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good…