Related papers: Weakly parametrized Jastrow ansatz for a strongly …
We report a quantum Monte Carlo (QMC) study, on a very simple but nevertheless very instructive model system of four hydrogen atoms, recently proposed in Ref. 1. We find that the Jastrow correlated Antisymmetrized Geminal Power (JAGP) is…
A new variational technique is developed to investigate the polaronic features of the Holstein Molecular Crystal Model. It is based on a linear superposition of Bloch states that describe large and small polaron wave functions. It is shown…
We show that two-component Bose-Einstein condensed mixtures, in presence of a persistent current, exhibit a non trivial Doppler shift of the sound velocities. The peculiarity is due to the inter-species interaction and the possibility of…
We perform a theoretical analysis of atomic four-wave mixing via a collision of two Bose-Einstein condensates of metastable helium atoms, and compare the results to a recent experiment. We calculate atom-atom pair correlations within the…
Transcorrelated coupled cluster and distinguishable cluster methods are presented. The Hamiltonian is similarity transformed with a Jastrow factor in the first quantisation, which results in up to three-body integrals. The coupled cluster…
Quantum mechanical few-body systems in reduced dimensionalities can exhibit many interesting properties such as scale-invariance and universality. Analytical descriptions are often available for integer dimensionality, however, numerical…
We demonstrate the accuracy of ground-state energies of the transcorrelated Hamiltonian, employing sophisticated Jastrow factors obtained from variational Monte Carlo, together with the coupled cluster and distinguishable cluster methods at…
The combination of two-dimensional materials into heterostructures offers new opportunities for the design of optoelectronic devices with tunable properties. However, computing electronic and optical properties of such systems using…
The dielectric properties of molecules or nanostructures are usually modified in a complex manner, when assembled into a condensed phase. We propose a first-principles method to compute polarizabilities of sub-entities of solids and…
We introduce a method for solving a self consistent electronic calculation within localized atomic orbitals, that allows us to converge to the complete basis set (CBS) limit in a stable, controlled, and systematic way. We compare our…
We show that for both single-Slater-Jastrow and Jastrow geminal power wave functions, the formal cost scaling of Hilbert space variational Monte Carlo can be reduced from fifth to fourth order in the system size, thus bringing it in line…
A method to study weakly bound three-body quantum systems in two dimensions is formulated in coordinate space for short-range potentials. Occurrences of spatially extended structures (halos) are investigated. Borromean systems are shown to…
In this paper we study a mixed system of bosons and fermions with up to six particles in total. All particles are assumed to have the same mass. The two-body interactions are repulsive and are assumed to have equal strength in both the…
Modern quantum Monte Carlo (QMC) methods often capture electron correlation through both explicitly correlating Jastrow factors and small to mid-sized configuration interaction (CI) expansions. Here, we study the additional optimization…
The ground state properties and low-lying excitations of a (quasi) one-dimensional system of longitudinally confined interacting bosons are studied. This is achieved by extending Haldane's harmonic-fluid description to open boundary…
One-dimensional Bose gases present an interesting setting to study the physics of Bose polarons, as density fluctuations play an enhanced role due to reduced dimensionality. Theoretical descriptions of this system have predominantly relied…
We introduce time-dependent variational Monte Carlo for continuous-space Bose gases. Our approach is based on the systematic expansion of the many-body wave-function in terms of multi-body correlations and is essentially exact up to…
The well-known results concerning a dilute Bose gas with the short-range repulsive interaction should be reconsidered due to a thermodynamic inconsistency of the method being basic to much of the present understanding of this subject and…
We report on the Bose-Einstein condensation of metastable Helium-4 atoms using a hybrid approach, consisting of a magnetic quadrupole and a crossed optical dipole trap. In our setup we cross the phase transition with 2x10^6 atoms, and we…
A method is developed that allows analysis of quantum Monte Carlo simulations to identify errors in trial wave functions. The purpose of this method is to allow for the systematic improvement of variational wave functions by identifying…