Related papers: Multiscale Reference Function Analysis of the ${\c…
The Eigenvalue Moment Method (EMM), Handy (2001), Handy and Wang (2001)) is applied to the $H_\alpha \equiv P^2 + iX^3 + i\alpha X$ Hamiltonian, enabling the algebraic/numerical generation of converging bounds to the complex energies of the…
We investigate the existence of holomorphic Hartree-Fock solutions using a revised SCF algorithm. We use this algorithm to study the Hartree-Fock solutions for H$_{2}$ and H$_{4}^{2+}$ and report the emergence of holomorphic solutions at…
Multiconfiguration Hartree-Fock (MCHF) and multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations are performed for the $2p^{5}~^{2}P^{o}$, $2p^4(^{3}P)3s~^{4}P$, $2p^4(^{3}P)3s~^{2}P$ and $2p^4(^{3}P)3p~^{4}S^o$ states of $^{19}$F~I to…
We present an abstract multiscale analysis scheme for matrix functions $(H_{\varepsilon}(m,n))_{m,n\in \mathfrak{T}}$, where $\mathfrak{T}$ is an Abelian group equipped with a distance $|\cdot|$. This is an extension of the scheme developed…
The DMRG method, despite its favorable scaling, it is in practice not suitable for computations of dynamic correlation. Several approaches to include that in post-DMRG methods exist; in our group we focused on the tailored-CC (TCC)…
We investigate complex versions of the Korteweg-deVries equations and an Ito type nonlinear system with two coupled nonlinear fields. We systematically construct rational, trigonometric/hyperbolic, elliptic and soliton solutions for these…
We use the Holder regularity analysis to study the symmetry breaking and recovery due to a parametric potential generated via the strictly isospectral factorization method. The initial potential is two-dimensional and periodic in the two…
This article presents the convergence analysis of a sequence of piecewise constant and piecewise linear functions obtained by the Rothe method to the solution of the first order evolution partial differential inclusion…
Multi-configurational wave functions are known to describe electronic structure across a Born-Oppenheimer surface qualitatively correct. However, for quantitative reaction energies, dynamical correlation originating from the many…
We consider the three-dimensional magnetohydrodynamics (MHD) equations in the presence of a spatially degenerate stochastic forcing as a model for magnetostrophic turbulence in the Earth's fluid core. We examine the multi-parameter singular…
Multifractal Detrended Fluctuation Analysis (MFDFA) is a powerful and widely used technique for characterizing the scaling properties and long-range correlations of complex time series. However, its application often involves significant…
The multiconfiguration Dirac-Fock (MCDF) model uses a linear combination of Slater determinants to approximate the electronic $N$-body wave function of a relativistic molecular system, resulting in a coupled system of nonlinear eigenvalue…
An algebraic soliton of the massive Thirring model (MTM) is expressed by the simplest rational solution of the MTM with the spatial decay of $\mathcal{O}(x^{-1})$. The corresponding potential is related to a simple embedded eigenvalue in…
We describe a formulation of multi-reference perturbation theory that obtains a rigorous upper bound to the second order energy by minimizing the Hylleraas functional in the space of matrix product states (MPS). The first order…
We propose and rigourously analyze a multiscale time integrator Fourier pseudospectral (MTI-FP) method for the Dirac equation with a dimensionless parameter $\varepsilon\in(0,1]$ which is inversely proportional to the speed of light. In the…
Highly oscillatory differential equations present significant challenges in numerical treatments. The Modulated Fourier Expansion (MFE), used as an ansatz, is a commonly employed tool as a numerical approximation method. In this article,…
Hamiltonian Truncation Methods are a useful numerical tool to study strongly coupled QFTs. In this work we present a new method to compute the exact corrections, at any order, in the Hamiltonian Truncation approach presented by Rychkov et…
Efficient implementations of electronic structure methods are essential for first-principles modeling of molecules and solids. We here present a particularly efficient common framework for methods beyond semilocal density-functional theory,…
Background: To describe shape fluctuations associated with large-amplitude collective motion in the quadrupole degrees of freedom, the five-dimensional collective Hamiltonian (5DCH) has been widely used. The inertial functions in the 5DCH…
The low-energy enhancement observed recently in the deexcitation gamma-ray strength functions, suggested to arise due to the magnetic dipole radiation, motivates theoretical efforts to improve the description of M1 strength in available…