Related papers: Correlated electron dynamics with time-dependent q…
We report benchmark results for one-dimensional (1D) atomic and molecular systems interacting via the Coulomb operator $|x|^{-1}$. Using various wavefunction-type approaches, such as Hartree-Fock theory, second- and third-order…
We present Coupled Electron-Ion Monte Carlo results for the principal Hugoniot of deuterium together with an accurate study of the initial reference state of shock wave experiments. We discuss the influence of nuclear quantum effects,…
We use a Monte Carlo approach to study hadron azimuthal angular correlations in high energy proton-proton and central nucleus-nucleus collisions at the BNL Relativistic Heavy Ion Collider (RHIC) energies at mid-rapidity. We build a hadron…
We report on the first results for the second-order perturbation theory correction to the ground-state energy of a nuclear many-body system in a continuum quantum Monte Carlo calculation. Second-order (and higher) perturbative corrections…
The quantum Monte-Carlo method is applied to two-dimensional electron systems under strong magnetic fields. The negative-sign problem involved by this method can be avoided for certain filling factors by modifying interaction parameters…
The three dimensional periodic Anderson model is studied with Quantum Monte Carlo. We find that the cross-over to the Kondo singlet regime is remarkably sharp at low temperatures, and that the behavior of magnetic correlations is…
The Falicov-Kimball model with a correlated-hopping interaction is solved using an extended dynamical mean-field theory that becomes exact in the limit of large dimensions. The effect of correlated hopping is to introduce nonlocal…
We present and motivate an efficient way to include orbital dependent many--body correlations in trial wave function of real--space Quantum Monte Carlo methods for use in electronic structure calculations. We apply our new…
An interesting question in physics is how the correlation energy of atoms evolves upon forming a solid. Here, we address this problem for a specific case of double-layer FeSe. We used many-body wavefunction-based quantum Monte Carlo (QMC)…
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…
With a semiclassical quasistatic model we identify the distinct roles of nuclear Coulomb attraction, final state electron repulsion and electron-field interaction in forming the finger-like (or V-shaped) pattern in the correlated electron…
A path integral Monte Carlo method based on the worm algorithm has been developed to compute the chemical potential of interacting bosonic quantum fluids. By applying it to finite-sized systems of helium-4 atoms, we have confirmed that the…
We have measured signals induced in 5 Corbino electrodes by spontaneous oscillations of 2D surface electrons on liquid helium at $\sim$0.3\,K, with a perpendicular magnetic field and microwave radiation. Analysis using multi-scale,…
The Metropolis Monte Carlo algorithm with the Finite Element method applied to compute electrostatic interaction energy between charge densities is described in this work. By using the Finite Element method to integrate numerically the…
Attosecond dynamics in strong-field tunnel ionization are encoded in intricate holographic patterns in the photoelectron momentum distributions (PMDs). These patterns show the interference between two or more superposed quantum electron…
On the base of a Feynman-Kac--type formula involving Poisson stochastic processes, recently a Monte Carlo algorithm has been introduced, which describes exactly the real- or imaginary-time evolution of many-body lattice quantum systems. We…
Quantum Monte Carlo methods are first-principle approaches that approximately solve the Schr\"odinger equation stochastically. As compared to traditional quantum chemistry methods, they offer important advantages such as the ability to…
We develop a variational Monte Carlo (VMC) method for electron-phonon coupled systems. The VMC method has been extensively used for investigating strongly correlated electrons over the last decades. However, its applications to…
A method for constructing semianalytical strongly correlated wave functions for single and molecular quantum dots is presented. It employs a two-step approach of symmetry breaking at the Hartree-Fock level and of subsequent restoration of…
A systematically improvable wave function is proposed for the numerical solution of strongly correlated systems. With a stochastic optimization method, based on the auxiliary field quantum Monte Carlo technique, an effective temperature…