On the Sign Problem of the Fermionic Shadow Wave Function

Abstract

We present a whole series of novel methods to alleviate the sign problem of the Fermionic Shadow Wave Function in the context of Variational Monte Carlo. The effectiveness of our new techniques is demonstrated on the example of liquid 3He. We found that although the variance is substantially reduced, the gain in efficiency is restricted by the increased computational cost. Yet, this development not only extends the scope of the Fermionic Shadow Wave Function, but also facilitates highly accurate Quantum Monte Carlo simulations previously thought not feasible.

11 pages, 6 figures, 5 tables

References in corpus (8)

• Continuum variational and diffusion quantum Monte Carlo calculations
• Effects of Backflow Correlation in the Three-Dimensional Electron Gas: Quantum Monte Carlo Study
• Applications of quantum Monte Carlo methods in condensed systems
• Quantum Monte Carlo Study of High Pressure Solid Molecular Hydrogen
• Many-body wavefunctions for normal liquid ${}^3$He
• Jost Function for Singular Potentials
• Variational Monte Carlo study of the ground state properties and vacancy formation energy of solid para-H2 using a shadow wave function
• Fermionic Shadow Wavefunction Variational calculations of the vacancy formation energy in ${}^3$He

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• Parallel Quantum Chemistry on Noisy Intermediate-Scale Quantum Computers
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• Efficient Solutions of Fermionic Systems using Artificial Neural Networks
• On Fermionic Shadow Wave Functions for strongly-correlated multi-reference systems based on a single Slater determinant
• Equation of state of atomic solid hydrogen by stochastic many-body wave function methods
• On the Fermion Sign Problem in Imaginary-Time Projection Continuum Quantum Monte Carlo with Local Interaction
• Metal-Insulator Transition of Solid Hydrogen by the Antisymmetric Shadow Wave Function
• Solving fermion problems without solving the sign problem: symmetry-breaking wave functions from similarity-transformed propagators for solving 2D quantum dots