Related papers: Efficient temperature-dependent Green's function m…
At zero temperature coupled cluster theory is widely used to predict total energies, ground state expectation values and even excited states for molecules and extended systems. Generalizations to finite temperature exist, however, they are…
We introduce a general scheme to consistently truncate equations of motion for Green's functions. Our scheme is guaranteed to generate physical Green's functions with real excitation energies and positive spectral weights. There are free…
The fast and accurate estimation of planetary mass-loss rates is critical for planet population and evolution modelling. We use machine learning (ML) for fast interpolation across an existing large grid of hydrodynamic upper atmosphere…
We present a new boundary integral formulation for time-harmonic wave diffraction from two-dimensional structures with many layers of arbitrary periodic shape, such as multilayer dielectric gratings in TM polarization. Our scheme is robust…
We use the Matsubara functional renormalization group (FRG) to describe electronic correlations within the single impurity Anderson model. In contrast to standard FRG calculations, we account for the frequency-dependence of the two-particle…
Understanding frictional phenomena is a fascinating fundamental problem with huge potential impact on energy saving. Such an understanding requires monitoring what happens at the sliding buried interface, which is almost inaccessible by…
Hybrid spectral-spatial representations are introduced to rapidly calculate periodic scalar and dyadic Green's functions of the Helmholtz equation for 2D and 3D configurations with a 1D (linear) periodicity. The presented schemes work…
In this paper a general theory for interpolation methods on a rectangular grid is introduced. By the use of this theory an efficient B-spline based interpolation method for spectral codes is presented. The theory links the order of the…
Thermal aware routing and placement algorithms are important in industry. Currently, there are reasonably fast Green's function based algorithms that calculate the temperature distribution in a chip made from a stack of different materials.…
The basic mathematical properties of Green's functions used in statistical mechanics as well as the equations defining these functions and the techniques of solving these equations are reviewed. An approach is presented called the…
The OLYMPUS experiment used a 0.3 T toroidal magnetic spectrometer to measure the momenta of outgoing charged particles. In order to accurately determine particle trajectories, knowledge of the magnetic field was needed throughout the…
The energy gap of correlated Hubbard clusters is well studied for one-dimensional systems using analytical methods and density-matrix-renormalization-group (DMRG) simulations. Beyond 1D, however, exact results are available only for small…
In this paper we present a new highly efficient calculation method for the far field amplitude pattern that arises from scattering problems governed by the d-dimensional Helmholtz equation and, by extension, Schr\"odinger's equation. The…
On the basis of spin and pairing fluctuation-exchange approximation, we study the superconductivity in quasi-two-dimensional Hubbard model. The integral equations for the Green's function are self-consistently solved by numerical…
Due to the lack of corresponding analysis on appropriate mapping operator between two grids, high-order two-grid difference algorithms are rarely studied. In this paper, we firstly discuss the boundedness of a local bi-cubic Lagrange…
We introduce a performance-optimized method to simulate localization problems on bipartite tight-binding lattices. It combines an exact renormalization group step to reduce the sparseness of the original problem with the recursive Green's…
This report details an approach to improve the accuracy and precision of free energy difference estimates using thermodynamic integration data (slope of the free energy with respect to the switching variable lambda) and its application to…
The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems ranging from molecules to solids, and it gives rise to a plethora of physical phenomena experimentally accessible using…
Quantitative descriptions of strongly correlated materials pose a considerable challenge in condensed matter physics and chemistry. A promising approach to address this problem is quantum embedding methods. In particular, the dynamical…
We present a flexible density-matrix renormalization group approach to calculate finite-temperature spectral functions of one-dimensional strongly correlated quantum systems. The method combines the purification of the finite-temperature…