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We develop the full t-matrix theory of quasiparticle interference (QPI) for non-centrosymmetric (NCS) superconductors with Rashba spin-orbit coupling. We give a closed solution for the QPI spectrum for arbitrary combination and strength of…

We develop and benchmark a technique for simulating excitation spectra of generic two-dimensional quantum lattice systems using the framework of projected entangled-pair states (PEPS). The technique relies on a variational ansatz for…

Multipartite entanglement offers a powerful framework for understanding the complex collective phenomena in quantum many-body systems that are often beyond the description of conventional bipartite entanglement measures. Here, we propose a…

While the coherent potential approximation (CPA) is the prevalent method for the study of disordered electronic systems, it fails to capture non-local correlations and Anderson localization. To incorporate such effects, we extend the dual…

We introduce an approach to improve single-reference coupled cluster theory in settings where the Aufbau determinant is absent from or plays only a small role in the true wave function. Using a de-excitation operator that can be efficiently…

Finite mixture modelling is a popular method in the field of clustering and is beneficial largely due to its soft cluster membership probabilities. A common method for fitting finite mixture models is to employ spectral clustering, which…

We present an efficient implementation of the Generalized Green's function Cluster Expansion (GGCE), which is a new method for computing the ground-state properties and dynamics of polarons (single electrons coupled to lattice vibrations)…

This paper introduces a high-order-accurate strategy for integration of singular kernels and edge-singular integral densities that appear in the context of boundary integral equation formulations of the problem of acoustic scattering. In…

We present an extension of the pair coupled cluster doubles (p-CCD) method to quasiparticles and apply it to the attractive pairing Hamiltonian. Near the transition point where number symmetry gets spontaneously broken, the proposed…

The matrix product state (MPS) is utilized to study the ground state properties and quantum phase transitions (QPTs) of the one-dimensional quantum compass model (QCM). The MPS wavefunctions are argued to be very efficient descriptions of…

Density matrix embedding theory (DMET) is a relatively new technique for the calculation of strongly correlated systems. Recently, block product DMET (BPDMET) was introduced for the study of spin systems such as the antiferromagnetic $J_1 -…

The Minimally Entangled Typical Thermal States (METTS) are an ensemble of pure states, equivalent to the Gibbs thermal state, that can be efficiently represented by tensor networks. In this article, we use the Projected Entangled Pair…

Noncollinear (NC) magnetism and spin-orbit coupling (SOC) are indispensable for predictive ab initio materials simulations with pronounced relativistic effects and magnetic frustration, yet they significantly increase the cost of…

We introduce a novel spectral, finite-dimensional approximation of general Sobolev spaces in terms of Chebyshev polynomials. Based on this polynomial surrogate model (PSM), we realise a variational formulation, solving a vast class of…

Recent work on approximating ground states of Heisenberg spin clusters by projected Hartree-Fock theory (PHF) is extended to a cluster-based ansatz (cPHF). Whereas PHF variationally optimizes a site-spin product state for the restoration of…

Relativistic continuous matrix product states (RCMPS) are a powerful variational ansatz for quantum field theories of a single field. However, they inherit a property of their non-relativistic counterpart that makes them divergent for…

We introduce and analyze a mesh-free two-level hybrid Chebyshev-Tucker tensor representation for approximating multivariate functions, which combines tensor-product Chebyshev interpolation with the low-rank Tucker decomposition of the…

While general quantum many-body systems require exponential resources to be simulated on a classical computer, systems of non-interacting fermions can be simulated exactly using polynomially scaling resources. Such systems may be of…

Efficient and stable algorithms for the calculation of spectral quantities and correlation functions are some of the key tools in computational condensed matter physics. In this article we review basic properties and recent developments of…

We incorporate a solver for the fragment problem with accuracy beyond coupled cluster singles and doubles (CCSD) into the previously proposed static embedding framework, MPCC. To this end, we employ a CCSDT solver for the fragment…