29 citations · 76 across the 5 of their papers we have counts for
5 papers
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer
Flaviano Della Pia, Benjamin X. Shi, Yasmine S. Al-Hamdani +30
Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely-trusted many-body method for solving the Schrödinger equation, known for its reliable predictions of material and mole…
Transcorrelated Methods Applied to Second Row Elements
Maria-Andreea Filip, Pablo López Ríos, J. Philip Haupt +3
We explore the applicability of the transcorrelated method to the elements in the second row of the periodic table. We use transcorrelated Hamiltonians in conjunction with full con…
xTC: An efficient treatment of three-body interactions in transcorrelated methods
Evelin Martine Christlmaier, Thomas Schraivogel, Pablo López Ríos +2
An efficient implementation for approximate inclusion of the three-body operator arising in transcorrelated methods via exclusion of explicit three-body components (xTC) is present…
Transcorrelated coupled cluster methods. II. Molecular systems
Thomas Schraivogel, Evelin Martine Christlmaier, Pablo López Ríos +2
We demonstrate the accuracy of ground-state energies of the transcorrelated Hamiltonian, employing sophisticated Jastrow factors obtained from variational Monte Carlo, together wit…
Optimizing Jastrow factors for the transcorrelated method
J. Philip Haupt, Seyed Mohammadreza Hosseini, Pablo Lopez Rios +3
We investigate the optimization of flexible tailored real-space Jastrow factors for use in the transcorrelated (TC) method in combination with highly accurate quantum chemistry met…