Related papers: A Quantum Monte Carlo Approach to the Adiabatic Co…
Adiabatic quantum computing enables the preparation of many-body ground states. This is key for applications in chemistry, materials science, and beyond. Realisation poses major experimental challenges: Direct analog implementation requires…
We apply diffusion quantum Monte Carlo (DMC) to a broad set of solids, benchmarking the method by comparing bulk structural properties (equilibrium volume and bulk modulus) to experiment and DFT based theories. The test set includes…
A variational approach is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic energy containing monomer-monomer force constants…
It has become increasingly feasible to use quantum Monte Carlo (QMC) methods to study correlated fermion systems for realistic Hamiltonians. We give a summary of these techniques targeted at researchers in the field of correlated electrons,…
In order to find the equilibrium geometries of molecules and solids and to perform ab initio molecular dynamics, it is necessary to calculate the forces on the nuclei. We present a correlated sampling method to efficiently calculate…
The primary work presented in this paper focuses on the calculation of density-density dynamical correlations in an attractive two dimensional Fermi gas in several physically interesting regimes, including the strongly correlated BEC-BCS…
We introduce a variant to the Diffusion Monte Carlo algorithm that can be employed to study the effects of the Rashba interaction in a many electron systems. Because of the spin--orbit nature of Rashba interaction a standard algorithm…
An accurate and consistent theory of phonons in metals requires that all long-range Coulomb interactions between charged particles (electrons and ions) be treated on equal footing. So far, all attempts to deal with this non-perturbative…
The effect of atom losses on a homogeneous one-dimensional Bose gas lying within the quasi-condensate regime is investigated using a Monte Carlo wavefunction approach. The evolution of the system is calculated, conditioned by the loss…
We investigate the effect of local Coulomb correlations on electronic transport through a variety of coupled quantum dot systems connected to Fermi liquid leads. We use a newly developed functional renormalization group scheme to compute…
We use time-dependent (current) density functional theory to study collective transitions between the two lowest subbands in GaAs/AlGaAs quantum wells. We focus on two systems where experimental results are available: a wide single and a…
We present a framework of an auxiliary field quantum Monte Carlo (QMC) method for multi-orbital Hubbard models. Our formulation can be applied to a Hamiltonian which includes terms for on-site Coulomb interaction for both intra- and…
We introduce high-order dynamical decoupling strategies for open system adiabatic quantum computation. Our numerical results demonstrate that a judicious choice of high-order dynamical decoupling method, in conjunction with an encoding…
A new numerical method is proposed for determining the low-frequency dynamics of the charge carrier coupled to the deformable quantum lattice. As an example, the polaron band structure is calculated for the one-dimensional Holstein model.…
We have studied the correlation potentials produced by various adiabatic connection models (ACM) for several atoms and molecules. The results have been compared to accurate reference potentials (coupled cluster and quantum Monte Carlo…
We address the issue of accurately treating interaction effects in the mesoscopic regime by investigating the ground state properties of isolated irregular quantum dots. Quantum Monte Carlo techniques are used to calculate the distributions…
We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We…
The capability of density-functional theory to deal with the ground-state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation…
The two main approaches to quantum computing are gate-based computation and analog computation, which are polynomially equivalent in terms of complexity, and they are often seen as alternatives to each other. In this work, we present a…
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…