Related papers: Explicitly correlated Gaussians with tensor pre-fa…
A geometric construction for obtaining a prolongation of a connection to a connection of a bundle of connections is presented. This determines a natural extension of the notion of canonical energy-tensor which suits gauge and gravitational…
We connect quantum graphs with infinite leads, and turn them to scattering systems. We show that they display all the features which characterize quantum scattering systems with an underlying classical chaotic dynamics: typical poles, delay…
The relativistic approach to electroweak properties of two-particle composite systems developed previously is generalized here to the case of nonzero spin. This approach is based on the instant form of relativistic Hamiltonian dynamics. A…
This article is motivated by studying the interaction of magnetic moments in high entropy alloys (HEAs), which plays an important role in guiding HEA designs in materials science. While first principles simulations can capture magnetic…
To ensure interpretability of extracted sources in tensor decomposition, we introduce in this paper a dictionary-based tensor canonical polyadic decomposition which enforces one factor to belong exactly to a known dictionary. A new…
The central role of soft nucleon matrix elements in reactions of high energy electrons or real photons with nucleons is emphasized. These soft matrix elements are described in terms of skewed parton distributions. Their connections to…
Atomic Compton profiles (CPs) are a very important property which provide us information about the momentum distribution of atomic electrons. Therefore, for CPs of heavy atoms, relativistic effects are expected to be important, warranting a…
Permutation group algebras, and their generalizations called permutation centralizer algebras (PCAs), play a central role as hidden symmetries in the combinatorics of large $N$ gauge theories and matrix models with manifest continuous gauge…
In most realistic models for quantum chaotic systems, the Hamiltonian matrices in unperturbed bases have a sparse structure. We study correlations in eigenfunctions of such systems and derive explicit expressions for some of the correlation…
We present a simple, robust and black-box approach to the implementation and use of local, periodic, atom-centered Gaussian basis functions within a plane wave code, in a computationally efficient manner. The procedure outlined is based on…
The many-body Coulomb repulsive energy of strictly correlated electrons provides direct information of the exact Hohenberg-Kohn exchange-correlation functional in the strong interaction limit. Until now the treatment of strictly correlated…
Reliable quantum chemical methods for the description of molecules with dense-lying frontier orbitals are needed in the context of many chemical compounds and reactions. Here, we review developments that led to our newcomputational toolbo x…
The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving compressed many-body Hamiltonians that…
Employing a relativistic version of a hypervirial result, recurrence relations for arbitrary non-diagonal radial hydrogenic matrix elements have recently been obtained in Dirac relativistic quantum mechanics. In this contribution honoring…
We present a novel scheme for nuclear structure calculations based on realistic nucleon-nucleon potentials. The essential ingredient is the explicit treatment of the dominant interaction-induced correlations by means of the Unitary…
We construct explicit formulae for the eigenvalues of certain invariants of the Lie superalgebra gl(m|n) using characteristic identities. We discuss how such eigenvalues are related to reduced Wigner coefficients and the reduced matrix…
Multivariate polynomials arise in many different disciplines. Representing such a polynomial as a vector of univariate polynomials can offer useful insight, as well as more intuitive understanding. For this, techniques based on tensor…
Understanding the structure of our universe and the distribution of matter is an area of active research. As cosmological surveys grow in complexity, the development of emulators to efficiently and effectively predict matter power spectra…
We explain how the calculations of arXiv:1704.08648, which provided the first evidence for non-trivial structures of Gaussian correlators in tensor models, are efficiently performed with the help of the (Hurwitz) character calculus. This…
While the properties of materials at microscopic scales are well described by fundamental quantum mechanical equations and electronic structure theories, the emergent behavior of mesoscopic or macroscopic composites is no longer governed…