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Krylov-Projected Quantum Monte Carlo Method [PDF]
Physical Review Letters, 2015 We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real ...
Blunt, Nicholas +2 more
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Quantum Monte Carlo with directed loops [PDF]
Physical Review E, 2002 We introduce the concept of directed loops in stochastic series expansion and path integral quantum Monte Carlo methods. Using the detailed balance rules for directed loops, we show that it is possible to smoothly connect generally applicable simulation schemes (in which it is necessary to include back-tracking processes in the loop construction) to ...
Syljuasen, Olav F., Sandvik, Anders W.
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Química Nova, 2008 The paper presents an introductory and general discussion on the quantum Monte Carlo methods, some fundamental algorithms, concepts and applicability. In order to introduce the quantum Monte Carlo method, preliminary concepts associated with Monte Carlo ...
Wagner Fernando Delfino Angelotti +3 more
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Quantum Monte Carlo Method for Attractive Coulomb Potentials [PDF]
, 2001 Starting from an exact lower bound on the imaginary-time propagator, we present a Path-Integral Quantum Monte Carlo method that can handle singular attractive potentials.
G. Baym +27 more
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Algorithms for Quantum Simulation at Finite Energies
PRX Quantum, 2021 We introduce two kinds of quantum algorithm to explore microcanonical and canonical properties of many-body systems. The first is a hybrid quantum algorithm that, given an efficiently preparable state, computes expectation values in a finite energy ...
Sirui Lu +2 more
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Quantum Monte Carlo with variable spins [PDF]
The Journal of Chemical Physics, 2016 We investigate the inclusion of variable spins in electronic structure quantum Monte Carlo, with a focus on diffusion Monte Carlo with Hamiltonians that include spin-orbit interactions. Following our previous introduction of fixed-phase spin-orbit diffusion Monte Carlo, we thoroughly discuss the details of the method and elaborate upon its ...
Cody A. Melton +2 more
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QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids [PDF]
Journal of Physics: Condensed Matter, 2018 QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians.
Jeongnim Kim +49 more
semanticscholar +1 more source
Quantum advantage of Monte Carlo option pricing
Journal of Physics Communications, 2023 Quantum computers have the potential to provide quadratic speedup for Monte Carlo methods currently used in various classical applications. In this work, we examine the advantage of quantum computers for financial option pricing with the Monte Carlo ...
Zoltán Udvarnoki +2 more
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Nature Communications, 2021 The promise of quantum computing lies in harnessing programmable quantum devices for practical applications such as efficient simulation of quantum materials and condensed matter systems.
Andrew D. King +53 more
semanticscholar +1 more source
QMC-SW: A simple workflow for quantum Monte Carlo calculations in chemistry
SoftwareX, 2019 With constant improvements in the speed of computers, the importance of Quantum Monte Carlo (QMC) in chemistry is destined to increase substantially in the next decades, for both benchmark and routine calculations.
Vladimir Konkov, Roberto Peverati
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