Related papers: Numerically Exact Generalized Green's Function Clu…
The size-modified Poisson-Boltzmann (MPB) equation is an efficient implicit solvation model which also captures electrolytic solvent effects. It combines an account of the dielectric solvent response with a mean-field description of…
Free energy landscapes provide insights into conformational ensembles of biomolecules. In order to analyze these landscapes and elucidate mechanisms underlying conformational changes, there is a need to extract metastable states with…
We present two accelerated numerical algorithms for single-component and binary Gross-Pitaevskii (GP) equations coupled with microwaves (electromagnetic fields) in steady state. One is based on a normalized gradient flow formulation, called…
Similar to other electron correlation methods, many-body perturbation theory methods based on Green functions, such as the so-called $GW$ approximation, suffer from the usual slow convergence of energetic properties with respect to the size…
The self-energy method for quantum impurity models expresses the correlation part of the self-energy in terms of the ratio of two Green's functions and allows for a more accurate calculation of equilibrium spectral functions than is…
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
The linearisation of a second-order formulation of the conformal Einstein field equations (CEFEs) in Generalised Harmonic Gauge (GHG), with trace-free matter is derived. The linearised equations are obtained for a general background and…
In this paper, we mainly review recent results on mathematical theory and numerical methods for Bose-Einstein condensation (BEC), based on the Gross-Pitaevskii equation (GPE). Starting from the simplest case with one-component BEC of the…
Numerically "exact" methods addressing the dynamics of coupled electron--phonon systems have been intensively developed. Nevertheless, the corresponding results for the electron mobility $\mu_\mathrm{dc}$ are scarce, even for the…
We develop a generalization of the Schwinger boson and Holstein-Primakoff transformations that is applicable to ensembles of $N$ spin $1/2$'s with weak permutational symmetry. These generalized mappings are constructed by introducing two…
We examine the range of validity of the second-order cumulant expansion (CE) for the calculation of spectral functions, quasiparticle properties, and mobility of the Holstein polaron. We devise an efficient numerical implementation that…
The second-order Green's function method (GF2) was shown recently to be an accurate self-consistent approach for electronic structure of correlated systems since the self-energy accounts for both the weak and some of the strong correlation.…
The Atomic Cluster Expansion (Drautz, Phys. Rev. B 99, 2019) provides a framework to systematically derive polynomial basis functions for approximating isometry and permutation invariant functions, particularly with an eye to modelling…
A general procedure for the optimization of atomic density-fitting basis functions is designed with the balance between accuracy and numerical stability in mind. Given one-electron wavefunctions and energies, weights are assigned to the…
Unitary integrable models typically relax to a stationary Generalized Gibbs Ensemble (GGE), but in experimental realizations dissipation often breaks integrability. In this work, we use the recently introduced time-dependent GGE (t-GGE)…
We extend the variational cluster approach to deal with strongly correlated lattice bosons in the superfluid phase. To this end, we reformulate the approach within a pseudoparticle formalism, whereby cluster excitations are described by…
We describe a generalization of the cluster-state model of quantum computation to continuous-variable systems, along with a proposal for an optical implementation using squeezed-light sources, linear optics, and homodyne detection. For…
Single-particle resonances in the continuum are crucial for studies of exotic nuclei. In this study, the Green's function approach is employed to search for single-particle resonances based on the relativistic-mean-field model. Taking…
We build and analytically calculate the Generalised Gibbs Ensemble partition function of the integrable Soft Neumann Model. This is the model of a classical particle which is constrained to move, on average over the initial conditions, on…
Several widely used methods for the calculation of band structures and photo emission spectra, such as the GW approximation, rely on Many-Body Perturbation Theory. They can be obtained by iterating a set of functional differential equations…