Related papers: Many-Body Expanded Full Configuration Interaction.…
Multi-configurational electronic structure theory delivers the most versatile approximations to many-electron wavefunctions, flexible enough to deal with all sorts of transformations, ranging from electronic excitations, to open-shell…
We introduce the pCI software package for high-precision atomic structure calculations. The standard method of calculation is based on the configuration interaction (CI) method to describe valence correlations, but can be extended to attain…
Atomic Fermi gases provide an ideal platform for studying the pairing and superfluid physics, using a Feshbach resonance between closed channel molecular states and open channel scattering states. Of particular interest is the strongly…
In this paper we describe a computational model for the simulation of fluid-structure interaction problems based on a fictitious domain approach. We summarize the results presented over the last years when our research evolved from the…
We present a systematic coarse-graining (CG) strategy for many particle molecular systems based on cluster expansion techniques. We construct a hierarchy of coarse-grained Hamiltonians with interaction potentials consisting of two, three…
Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular polarization to be underestimated, and hence intermolecular…
Many-body correlations characterizing the Constrained Molecular Dynamics (CoMD)are analyzed in the case of finite and zero range effective microscopic interactions. The study begins by analyzing the case of infinite nuclear matter at zero…
The recent theoretical discovery of fractional Chern insulators (FCIs) has provided an important new way to realize topologically ordered states in lattice models. In earlier works, on-site and nearest neighbor Hubbard-like interactions…
Bound states in the continuum (BICs), referring to spatially localized bound states with energies falling within the range of extended modes, have been extensively investigated in single-particle systems, leading to diverse applications in…
The objective of this work is the development of a novel finite element formulation describing the contact interaction of slender beams in complex 3D configurations involving arbitrary beam-to-beam orientations. It is shown in a…
An accurate description of electron correlation is one of the most challenging problems in quantum chemistry. The exact electron correlation can be obtained by means of full configuration interaction (FCI). A simple strategy for…
Full configuration interaction quantum Monte Carlo (FCIQMC) is a state-of-the-art stochastic electronic structure method, providing a methodology to compute FCI-level state energies of molecular systems within a quantum chemical basis.…
We compute the equation of state, the gap as well as the density fluctuations of a two-component superfluid Fermi gas over the whole range of BEC-BCS crossover at vanishing temperature within the functional renormalisation group approach.…
The virtues of an effective field theory (EFT) approach to many-body problems are illustrated by deriving the expansion for the energy of an homogeneous, interacting Fermi gas at low density and zero temperature. A renormalization scheme…
The physics of quantum degenerate Fermi gases in uniform as well as in harmonically trapped configurations is reviewed from a theoretical perspective. Emphasis is given to the effect of interactions which play a crucial role, bringing the…
Non-perturbative aspects of the quantum many-body problem are revisited, discussed and advanced in the equation of motion framework. We compare the approach to the two-fermion response function truncated on the two-body level by the cluster…
We present a theory of measurement-induced interference for weakly interacting Bose-Einstein condensed (BEC) gases. The many-body state resulting from the evolution of an initial fragmented (Fock) state can be approximated as a continuous…
Understanding the structure and reactions of nuclei from first principles has been a long-standing goal of nuclear physics. In this respect, few- and many-body systems provide a unique laboratory for studying nuclear interactions. In the…
The development of polynomial cost solvers for correlated quantum impurity models, with controllable errors, is a central challenge in quantum many-body physics, where these models find applications ranging from nano-science to the…
This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compounds. We first give a short overview of relativistic…