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161
Density-functional theory formulated in terms of functional integrals
Published 2025-01-01“…This work could be of interest to people working in the field of quantum Monte Carlo methods at finite temperature.…”
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162
Emergent symmetries and coexisting orders in Dirac fermion systems
Published 2020-04-01“…We demonstrate, using a combination of nonperturbative field-theoretical analysis and an adapted quantum Monte Carlo approach, that such systems exhibit a strong-coupling quantum multicritical fixed point with an emerging enhanced symmetry. …”
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163
Comparing many-body approaches against the helium atom exact solution
Published 2019-04-01“…We present new results beyond the random-phase approximation (RPA) from a renormalized RPA (r-RPA) in the framework of the self-consistent RPA (SCRPA) originally developed in nuclear physics, and compare them with various other approaches like configuration interaction (CI), quantum Monte Carlo (QMC), time-dependent density-functional theory (TDDFT), and the Bethe-Salpeter equation on top of the GW approximation. …”
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164
Magnon Landau levels in the strained antiferromagnetic honeycomb nanoribbons
Published 2021-12-01“…At large enough strength, the system is decoupled into isolated zigzag chains near the upper boundary and demonstrates one-dimensional magnetic property there. While the quantum Monte Carlo simulations also predict such a transition, this exact method gives a critical point deeper in the bulk. …”
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165
Electron correlation effects and spin-liquid state in the herbertsmithite kagome lattice
Published 2025-02-01“…We employ real-space variational quantum Monte Carlo methods with resonating valence bond many-body wave functions to investigate electron correlation effects in the kagome system Zn_{x}Cu_{4−x}O_{6}. …”
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166
Quantum fluctuations beyond the Gutzwiller approximation in the Bose-Hubbard model
Published 2020-08-01“…As specific examples of application, we study the two-point correlation functions, the superfluid stiffness, and the density fluctuations, for which quantitative agreement with available quantum Monte Carlo data is found. In particular, the two different universality classes of the superfluid-insulator quantum phase transition at integer and noninteger filling are recovered.…”
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167
Towards efficient and accurate ab initio solutions to periodic systems via transcorrelation and coupled cluster theory
Published 2021-07-01“…Using the three-dimensional uniform electron gas as a model for real periodic solids and highly accurate ground-state energies from the state-of-the-art quantum Monte Carlo methods as benchmark, we show that, with the correct physical insights incorporated, our TC-CC methods gain drastic improvements in accuracy compared with canonical CC methods, and the errors of our methods remain ±0.001 Hartree per electron (Ha/electron) across a wide range of densities. …”
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168
Machine learning universal bosonic functionals
Published 2021-09-01“…For the Bose-Hubbard model, we present a comparison between our approach and the quantum Monte Carlo method.…”
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169
Quantum simulation of the benzene-water complex
Published 1996“…A theoretical investigation is presented of the weakly bound complex formed between benzene and water. Diffusion quantum Monte Carlo methods are used to describe the nuclear motion plus two potentials which give quite good agreement with DZP/MP2 ab initio calculations, and simulations were performed for four isotopomers of C6H6 ⋯ H2O. …”
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170
Path integrals, diffusion on SU(2) and the fully frustrated antiferromagnetic spin cluster
Published 2004“…The calculation provides an analytically tractable illustration of the auxiliary field approach, as used in quantum Monte Carlo calculations, and may potentially be extended to treat more complex frustrated spin systems.…”
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171
Structure of water clusters. The contribution of many-body forces, monomer relaxation, and vibrational zero-point energy
Published 1996“…The ground vibrational states are calculated accurately using a diffusion quantum Monte Carlo algorithm which gives vibrationally averaged rotational constants in good agreement with experiment. …”
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172
Cooper triples in attractive three-component fermions: Implication for hadron-quark crossover
Published 2022-02-01“…The comparison with the existing quantum Monte Carlo results implies that the emergence of these kinds of three-body states can be a microscopic origin of the peak of the sound velocity along the crossover.…”
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173
Stripes in the extended $t-t^\prime$ Hubbard model: A Variational Monte Carlo analysis
Published 2022-06-01“…By using variational quantum Monte Carlo techniques, we investigate the instauration of stripes (i.e., charge and spin inhomogeneities) in the Hubbard model on the square lattice at hole doping $\delta=1/8$, with both nearest- ($t$) and next-nearest-neighbor hopping ($t^\prime$). …”
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174
Beyond universality in repulsive SU(N) Fermi gases
Published 2024-08-01“…Our results agree satisfactorily with quantum Monte Carlo results for hard-sphere and soft-sphere potentials for $S = 1/2$. …”
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175
Random phase approximation with exchange for an accurate description of crystalline polymorphism
Published 2021-09-01“…The RPAx gives results comparable to other high-level methods such as coupled cluster and quantum Monte Carlo, also in cases where the RPA breaks down. …”
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176
Quantitative assessment of the universal thermopower in the Hubbard model
Published 2023-11-01“…Using determinant quantum Monte Carlo, we demonstrate agreement between Hubbard model calculations and experimentally measured room-temperature S across multiple cuprate families, both qualitatively in terms of the doping dependence and quantitatively in terms of magnitude. …”
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177
Dynamics of equilibration and collisions in ultradilute quantum droplets
Published 2021-11-01“…The phase space of collision outcomes is extensively explored by performing fully three-dimensional calculations with effective single-component Quantum Monte Carlo-based and two-component LHY-corrected mean-field functionals. …”
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178
Weak superfluidity in twisted optical potentials
Published 2024-12-01“…We use continuous-space quantum Monte Carlo simulations to determine the unique phase diagrams of strongly correlated ultracold bosons in twisted optical lattices. …”
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179
Partial flux ordering and thermal Majorana metals in higher-order spin liquids
Published 2020-10-01“…With a focus on the thermodynamic precursors and thermal phase transitions associated with these distinct states, we employ numerically exact quantum Monte Carlo simulations to reveal a number of unconventional phenomena. …”
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180
Automatic order detection and restoration through systematically improvable variational wave functions
Published 2024-03-01“…We propose such a wave function, based on the theory of auxiliary fields and combining aspects of auxiliary-field quantum Monte Carlo and modern variational optimization techniques including automatic differentiation. …”
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