| Nome |
# |
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A Novel Technique for the Simulation of Interacting Fermion Systems, file dd8a4bf7-0735-20a0-e053-d805fe0a8cb0
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353
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Quantum Monte Carlo Approaches for Correlated Systems, file dd8a4bf7-e4dc-20a0-e053-d805fe0a8cb0
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147
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Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo, file dd8a4bf8-ec68-20a0-e053-d805fe0a8cb0
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143
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Phase diagram of the two-dimensional Hubbard-Holstein model, file dd8a4bf8-c7b1-20a0-e053-d805fe0a8cb0
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142
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Correlated Geminal wave functions for molecules: an efficient resonating valence bond approach, file dd8a4bf7-0fa1-20a0-e053-d805fe0a8cb0
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126
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Carbon nanotubes as excitonic insulators, file dd8a4bf7-e105-20a0-e053-d805fe0a8cb0
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122
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Assessing the accuracy of the Jastrow antisymmetrized geminal power in the H 4 model system, file dd8a4bf8-5892-20a0-e053-d805fe0a8cb0
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113
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Computer simulation for interacting Fermions: a novel technique based on the Hubbard Stratonovich transformation, file dd8a4bf7-08e4-20a0-e053-d805fe0a8cb0
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105
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Towards the solution of the many-electron problem in real materials: Equation of state of the hydrogen chain with state-of-the-art many-body methods, file dd8a4bf7-e782-20a0-e053-d805fe0a8cb0
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99
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Superconductivity, charge-density waves, antiferromagnetism, and phase separation in the Hubbard-Holstein model, file dd8a4bf8-4814-20a0-e053-d805fe0a8cb0
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91
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Angle-resolved photoemission spectroscopy from first-principles quantum Monte Carlo, file dd8a4bf8-588c-20a0-e053-d805fe0a8cb0
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89
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Ab initio molecular dynamics with quantum Monte Carlo, file dd8a4bf7-5a62-20a0-e053-d805fe0a8cb0
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75
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Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz, file dd8a4bf7-6898-20a0-e053-d805fe0a8cb0
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73
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Carbon nanotubes as excitonic insulators, file dd8a4bf7-eca4-20a0-e053-d805fe0a8cb0
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67
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Algorithmic differentiation and the calculation of forces by quantum Monte Carlo, file dd8a4bf8-4306-20a0-e053-d805fe0a8cb0
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55
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All-Electron Quantum Monte Carlo with Jastrow Single Determinant Ansatz: Application to the Sodium Dimer, file dd8a4bf8-b7db-20a0-e053-d805fe0a8cb0
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52
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Ab initio molecular dynamics with noisy forces: Validating the quantum Monte Carlo approach with benchmark calculations of molecular vibrational properties, file dd8a4bf7-5a6d-20a0-e053-d805fe0a8cb0
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47
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Finite-temperature electronic simulations without the Born-Oppenheimer constraint, file dd8a4bf7-716b-20a0-e053-d805fe0a8cb0
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47
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The nature of the chemical bond in the dicarbon molecule, file dd8a4bf8-d14b-20a0-e053-d805fe0a8cb0
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46
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Hidden Mott transition and large-U superconductivity in the two-dimensional Hubbard model, file dd8a4bf8-4815-20a0-e053-d805fe0a8cb0
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42
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TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo, file dd8a4bf8-d34e-20a0-e053-d805fe0a8cb0
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39
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Geminal embedding scheme for optimal atomic basis set construction in correlated calculations, file dd8a4bf7-699c-20a0-e053-d805fe0a8cb0
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36
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Absence of a Spin Liquid Phase in the Hubbard Model on the Honeycomb Lattice, file dd8a4bf7-209a-20a0-e053-d805fe0a8cb0
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33
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Weak binding between two aromatic rings: Feeling the van der Waals attraction by quantum Monte Carlo methods, file dd8a4bf8-444e-20a0-e053-d805fe0a8cb0
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33
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Toward Accurate Adsorption Energetics on Clay Surfaces, file dd8a4bf7-6254-20a0-e053-d805fe0a8cb0
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31
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Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited, file dd8a4bf8-430a-20a0-e053-d805fe0a8cb0
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29
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Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation, file dd8a4bf7-1fb4-20a0-e053-d805fe0a8cb0
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28
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Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases, file dd8a4bf8-c654-20a0-e053-d805fe0a8cb0
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28
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Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study, file dd8a4bf8-4384-20a0-e053-d805fe0a8cb0
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26
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Improved method for the discrete fast Fourier transform, file dd8a4bf8-c196-20a0-e053-d805fe0a8cb0
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23
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Speeding up ab initio diffusion Monte Carlo simulations by a smart lattice regularization, file dd8a4bf8-b7d7-20a0-e053-d805fe0a8cb0
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18
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Resonating Valence Bond wave function with molecular orbitals: application to first-row molecules, file dd8a4bf8-436e-20a0-e053-d805fe0a8cb0
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17
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Universal Quantum Criticality in the Metal-Insulator Transition of Two-Dimensional Interacting Dirac Electrons, file dd8a4bf7-1363-20a0-e053-d805fe0a8cb0
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13
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Comments on "Improved algorithm for the discrete Fourier transform" [Rev. Sci. Instrum. 56, 2325 (1985)], file dd8a4bf8-be4b-20a0-e053-d805fe0a8cb0
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13
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Jastrow wave function for the spin-1 Heisenberg chain: The string order revealed by the mapping to the classical Coulomb gas, file 652a5830-95c3-44d8-b2d1-1893f9c9e39a
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12
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Accelerating ab initio Molecular Dynamics and Probing the Weak Dispersive Forces in Dense Liquid Hydrogen, file dd8a4bf7-66b3-20a0-e053-d805fe0a8cb0
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7
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Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin Dynamics, file dd8a4bf7-6031-20a0-e053-d805fe0a8cb0
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6
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Spin-liquid ground state in a two-dimensional nonfrustrated spin model, file dd8a4bf7-2782-20a0-e053-d805fe0a8cb0
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4
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Hidden Mott transition and large-U superconductivity in the two-dimensional Hubbard model, file dd8a4bf7-61e3-20a0-e053-d805fe0a8cb0
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4
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Exact special twist method for quantum Monte Carlo simulations, file dd8a4bf7-66b5-20a0-e053-d805fe0a8cb0
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3
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Absence of static stripes in the two-dimensional t-J model by an accurate and systematic quantum Monte Carlo approach, file dd8a4bf7-10ae-20a0-e053-d805fe0a8cb0
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2
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Quantum Monte Carlo Study of the Protonated Water Dimer, file dd8a4bf7-1975-20a0-e053-d805fe0a8cb0
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2
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Alleviation of the fermion-sign problem by optimization of many-body wave functions, file dd8a4bf7-1b0b-20a0-e053-d805fe0a8cb0
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2
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Mott transition in bosonic systems: Insights from the variational approach, file dd8a4bf7-1d85-20a0-e053-d805fe0a8cb0
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2
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Light-cone effect and supersonic correlations in one- and two-dimensional bosonic superfluids, file dd8a4bf7-2675-20a0-e053-d805fe0a8cb0
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2
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Correlation Effects in Scanning Tunneling Microscopy Images of Molecules Revealed by Quantum Monte Carlo, file dd8a4bf7-6035-20a0-e053-d805fe0a8cb0
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2
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Structural optimization by quantum Monte Carlo: Investigating the low-lying excited states of ethylene, file dd8a4bf7-749e-20a0-e053-d805fe0a8cb0
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2
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Linearized auxiliary fields Monte Carlo technique: Efficient sampling of the fermion sign, file dd8a4bf7-1416-20a0-e053-d805fe0a8cb0
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1
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Fate of the Resonating Valence Bond in Graphene, file dd8a4bf7-1418-20a0-e053-d805fe0a8cb0
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1
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Electronic origin of the volume collapse in cerium, file dd8a4bf7-1510-20a0-e053-d805fe0a8cb0
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1
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Superfluid to Mott-insulator transition in Bose-Hubbard models, file dd8a4bf7-160f-20a0-e053-d805fe0a8cb0
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1
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Gapless spin-liquid phase in the kagome spin-1 2 Heisenberg antiferromagnet, file dd8a4bf7-170b-20a0-e053-d805fe0a8cb0
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1
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Stable Liquid Hydrogen at High Pressure by a Novel Ab Initio Molecular-Dynamics Calculation, file dd8a4bf7-1802-20a0-e053-d805fe0a8cb0
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1
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Nature and Strength of Interlayer Binding in Graphite, file dd8a4bf7-1804-20a0-e053-d805fe0a8cb0
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1
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Superconductivity in the Two-Dimensional t-J model, file dd8a4bf7-1a6d-20a0-e053-d805fe0a8cb0
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1
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Variational description of Mott insulators: the case of the t-t' one-dimensionalHubbard model, file dd8a4bf7-1e88-20a0-e053-d805fe0a8cb0
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1
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Ab initio calculations for the beta-tin diamond transition in silicon: Comparing theories with experiments, file dd8a4bf7-208b-20a0-e053-d805fe0a8cb0
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1
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Assessing the orbital selective Mott transition with variational wave functions, file dd8a4bf7-6670-20a0-e053-d805fe0a8cb0
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1
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Finite-size scaling with modified boundary conditions, file dd8a4bf7-6897-20a0-e053-d805fe0a8cb0
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1
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Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule, file dd8a4bf7-6cfe-20a0-e053-d805fe0a8cb0
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1
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Improper s-wave symmetry of the electronic pairing in iron-based superconductors by first-principles calculations, file dd8a4bf7-7308-20a0-e053-d805fe0a8cb0
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1
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Gapped spin-liquid phase in the J1-J2 Heisenberg model by a bosonic resonating valence-bond ansatz, file dd8a4bf7-7309-20a0-e053-d805fe0a8cb0
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1
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Chiral spin liquid wave function and the Lieb-Schultz-Mattis theorem, file dd8a4bf7-d17f-20a0-e053-d805fe0a8cb0
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1
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Superconductivity, charge-density waves, antiferromagnetism, and phase separation in the Hubbard-Holstein model, file dd8a4bf7-e1bc-20a0-e053-d805fe0a8cb0
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1
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Phase Diagram of Hydrogen and a Hydrogen-Helium Mixture at Planetary Conditions by Quantum Monte Carlo Simulations, file dd8a4bf7-ec5e-20a0-e053-d805fe0a8cb0
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1
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Solution of the sign problem for the half-filled Hubbard-Holstein model, file dd8a4bf8-588e-20a0-e053-d805fe0a8cb0
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1
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Photoinduced η Pairing in the Hubbard Model, file dd8a4bf8-5890-20a0-e053-d805fe0a8cb0
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1
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Benchmark study of an auxiliary-field quantum Monte Carlo technique for the Hubbard model with shifted-discrete Hubbard-Stratonovich transformations, file dd8a4bf8-b1dd-20a0-e053-d805fe0a8cb0
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1
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General Correlated Geminal Ansatz for Electronic Structure Calculations: Exploiting Pfaffians in Place of Determinants, file dd8a4bf8-d352-20a0-e053-d805fe0a8cb0
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1
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| Totale |
2.473 |