Sorting out quantum monte carlo

J Richter-Powell, L Thiede, A Asparu-Guzik… - arXiv preprint arXiv …, 2023 - arxiv.org
Quantum Monte Carlo (QMC) methods are a class of algorithm that aim to model … quantum
particles, typically an atom or molecule. In its simplest form, Variational Quantum Monte Carlo (…

Quantum Monte Carlo and related approaches

BM Austin, DY Zubarev, WA Lester Jr - Chemical reviews, 2012 - ACS Publications
… The diffusion Monte Carlo (DMC) variant of QMC has substantially reduced basis set truncation
and basis set superposition errors relative to other ab initio methods. For bosonic systems…

Correlation effects in quantum spin-hall insulators: A quantum monte carlo study

M Hohenadler, TC Lang, FF Assaad - Physical review letters, 2011 - APS
… mapped out using projective auxiliary field quantum Monte Carlo simulations. The quantum
… For 0:025 < =t < 0:25 we observe no spin ordering along the z quantization axis up to U=t ž 9…

Determinant and Derivative-Free Quantum Monte Carlo Within the Stochastic Representation of Wavefunctions

L Bernheimer, H Atanasova, G Cohen - arXiv preprint arXiv:2402.06577, 2024 - arxiv.org
… This can be carried out using an MC procedure … sort the components of 𝐑, thereby finding
the permutation ̄𝜋(𝐑) such that ̄𝜋(𝐑)𝐑 is in the unique orthant corresponding to fully sorted

Quantum Monte Carlo Determination of Electronic and Structural Properties of S Clusters (n 20)

JC Grossman, L Mitáš - Physical review letters, 1995 - APS
… a correct energy ordering for different competing structures. … In conclusion, we have carried
out QMC calculations of silicon … clusters and its role on the energetical ordering of structures. …

Quantum Monte Carlo with very large multideterminant wavefunctions

A Scemama, T Applencourt, E Giner… - Journal of …, 2016 - Wiley Online Library
… Then, duplicate determinants are filtered out by searching for duplicates among … array is
sorted (in linear time with the radix sort), and we apply the corresponding ordering to the three …

Recent advances in determinant quantum Monte Carlo

CC Chang, S Gogolenko, J Perez, Z Bai… - Philosophical …, 2015 - Taylor & Francis
… The sum is then carried out by the Metropolis Monte Carloout that the naive computational
complexity of the Monte … a few column interchanges from the initial ordering. As a result, the …

Chiral spin states in the pyrochlore Heisenberg magnet: Fermionic mean-field theory and variational Monte Carlo calculations

JH Kim, JH Han - Physical Review B—Condensed Matter and Materials …, 2008 - APS
… 1 will be valuable in sorting out the contending perspectives. The Fermilevel degeneracy
one finds in the uniform flux state may have interesting consequences that will need to be …

Continuous-time quantum Monte Carlo algorithm for the lattice polaron

PE Kornilovitch - Physical review letters, 1998 - APS
… The probability to have Nk kinks of a given sort on the time interval 0, b is given by the … The
present Monte Carlo algorithm treats all of the phonons in an infinite lattice exactly through the …

Quantum Monte Carlo calculations of nuclei

SC Pieper, K Varga, RB Wiringa - Physical Review C, 2002 - APS
We report on quantum Monte Carlo calculations of the ground and low-lying excited states
of A= 9, 10 nuclei using realistic Hamiltonians containing the Argonne v 18 two-nucleon …