3 papers
physics.chem-ph2025
Transcorrelated Methods for Multireference Problems
J. Philip Haupt, Evelin M. C. Christlmaier, Pablo López Ríos +3
We apply the transcorrelated method to problems of multireference character. For this, we show that the choice of reference wavefunction during the Jastrow optimisation procedure i…
physics.comp-ph2024
X marks the spot: accurate energies from intersecting extrapolations of continuum quantum Monte Carlo data
Seyed Mohammadreza Hosseini, Ali Alavi, Pablo Lopez Rios
We explore the application of an extrapolative method that yields very accurate total and relative energies from variational and diffusion quantum Monte Carlo (VMC and DMC) results…
cond-mat.mtrl-sci2018
Structure and metallicity of phase V of hydrogen
Bartomeu Monserrat, Neil D. Drummond, Philip Dalladay-Simpson +5
A new phase V of hydrogen was recently claimed in experiments above 325 GPa and 300 K. Due to the extremely small sample size at such record pressures the measurements were limited…