activity
20122020
most citedUnbiased Reduced Density Matrices and Electronic Properties from Full Configuration Interaction Quantum Monte Carlo

130 citations · 284 across the 3 of their papers we have counts for

collaborators
Showing 2012Show all

1 paper · 1 filter

physics.comp-ph2012★ 55 cited

An explicitly correlated approach to basis set incompleteness in Full Configuration Interaction Quantum Monte Carlo

George H. Booth, Deidre Cleland, Ali Alavi +1

By performing a stochastic dynamic in a space of Slater determinants, the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has been able to obtain energies which…