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In this work, we study probability functions associated with Gaussian mixture models. Our primary focus is on extending the use of spherical radial decomposition for multivariate Gaussian random vectors to the context of Gaussian mixture…
Koopmans-compliant (KC) functionals have been shown to provide accurate spectral properties through a generalized condition of piece-wise linearity of the total energy as a function of the fractional addition/removal of an electron to/from…
When calculating properties of periodic systems at the thermodynamic limit (TDL), the dominant source of finite size error (FSE) arises from the long-range Coulomb interaction, and can manifest as a slowly converging quadrature error when…
In this work we construct Gaussian beam approximations to solutions of the high frequency Helmholtz equation with a localized source. Under the assumption of non-trapping rays we show error estimates between the exact outgoing solution and…
In a previous paper, we have described a method to perform Fixed-Node Quantum Monte Carlo calculations for lattice fermions. In this paper, we present an extension of this method, by which it is possible to find information on the…
A Gaussian process (GP)-based methodology is proposed to emulate complex dynamical computer models (or simulators). The method relies on emulating the numerical flow map of the system over an initial (short) time step, where the flow map is…
We construct the a-function of [1] for general F-term perturbations of a 3+1 dimensional N=1 SCFT. We use this construction to argue that the central charge a always decreases along the corresponding RG flows, and discuss some other…
Correlation functions provide information on the properties of mesons in vacuum and of hot nuclear matter. In this Letter, we present a new method to derive a well-defined spectral representation for correlation functions. Combining this…
Gaussian Splatting (GS) has emerged as a dominating technique for image rendering and has quickly been adapted for the X-ray Computed Tomography (CT) reconstruction task. However, despite being on par or better than many of its…
Finite element exterior calculus (FEEC) has been developed as a systematical framework for constructing and analyzing stable and accurate numerical method for partial differential equations by employing differential complexes. This paper is…
We present a numerical method for grand canonical density functional theory (DFT) tailored to solid-state systems, employing Gaussian-type orbitals as the primary basis. Our approach directly minimizes the grand canonical free energy using…
Spectra of the neutral heavy mesons, $\eta_c(1S,2S)$, $J/\psi$, $\psi(2S)$, $\eta_b(1S,2S,3S)$, $\Upsilon(1S,2S,3S)$, $D$, $D^\ast$, $B$, $B^\ast$, $B_s$ and $B_s^\ast$, in a homogeneous magnetic field are analyzed in a potential model of…
A representation of polymer self-consistent field theory equivalent to quantum density functional theory is given in terms of non-orthogonal basis sets. Molecular integrals and self-consistent equations for spherically symmetric systems…
We derive a formalism, the separation method, for the efficient and accurate calculation of two-body matrix elements for a Gaussian potential in the cylindrical harmonic-oscillator basis. This formalism is of critical importance for…
When a theory shall be described at all scales, it is necessary to start from its elementary degrees of freedom. Herein, one possible chain of steps for this purpose will be briefly outlined for the example of a gauge theory, like QCD.…
We review and give elementary proofs of Liouville type properties of harmonic and subharmonic functions in the plane endowed with a complete Riemannian metric, and prove a gap theorem for the possible growth of harmonic functions when this…
We seek to approximate a composite function h(x) = g(f(x)) with a global polynomial. The standard approach chooses points x in the domain of f and computes h(x) at each point, which requires an evaluation of f and an evaluation of g. We…
The techniques for polynomial interpolation and Gaussian quadrature are generalized to matrix-valued functions. It is shown how the zeros and rootvectors of matrix orthonormal polynomials can be used to get a quadrature formula with the…
The auxiliary functions provide efficient computation of integrals arising at the self-consistent field (SCF) level for molecules using Slater-type bases. This applies both in relativistic and non-relativistic electronic structure theory.…
With the development of new remote sensing technology, large or even massive spatial datasets covering the globe become available. Statistical analysis of such data is challenging. This article proposes a semiparametric approach to model…