Related papers: A comparison between algebraic models of molecular…
Research on topological phases of matter is a core field in modern condensed matter physics. Free fermion systems, such as topological insulators and superconductors, have been studied using the "Tenfold Way" and K-theory. Building on…
A virtual vibrational spectrometer, based on efficient software exploring unrestricted Hartree-Fock approximation, has been proposed to perform computational spectroscopy of radicals. The computational device allows obtaining spectra of IR…
Measuring the Hamiltonian of dipolar coupled spin systems is usually a difficult task due to the high complexity of their spectra. Currently, molecules with unknown geometrical structure and low symmetry are extremely tedious or impossible…
We examine the limits of applicability of a simple non-Hermitian model for exciton/plasmon interactions in the presence of dissipation and dephasing. The model can be used as an alternative to the more complete Lindblad density matrix…
Vibrational properties of molecular crystals are constantly used as structural fingerprints, in order to identify both the chemical nature and the structural arrangement of molecules. The simulation of these properties is typically very…
We study the quantum-mechanical interpretation of models with non-Hermitian Hamiltonians and real spectra. We set up a general framework for the analysis of such systems in terms of Hermitian Hamiltonians defined in the usual Hilbert space…
We present a spectral Petrov-Galerkin method for the Boltzmann collision operator. We expand the density distribution $f$ to high order orthogonal polynomials multiplied by a Maxwellian. By that choice, we can approximate on the whole…
Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantly by accurately interpolating between reference…
A time-dependent vibrational electronic coupled-cluster (VECC) approach is proposed to simulate photoelectron/ UV-VIS absorption spectra, as well as time-dependent properties for non-adiabatic vibronic models, going beyond the…
In the classical operator theory, there are several versions of spectra, related to special classes of operators (Fredholm, semi-Fredholm, upper/lower semi-Fredholm,etc.). We generalize these notions for adjointable operators on Hilbert…
For families of Hamiltonians defined by parts that are local, the most general definition of a symmetry algebra is the commutant algebra, i.e., the algebra of operators that commute with each local part. Thinking about symmetry algebras as…
We study the minimal extended seesaw mechanism with one sterile neutrino in a 3+1 framework using modular $S_3$ symmetry. The active-sterile neutrino models are classified based on the assignments of $S_3$ representations and modular…
A few recent innovations of applicability of standard textbook Quantum Theory are reviewed. The three-Hilbert-space formulation of the theory (known from the interacting boson models in nuclear physics) is discussed in its slightly…
We study model-agnostic post-hoc calibration methods intended to improve probabilistic predictions in supervised binary classification on real i.i.d. tabular data, with particular emphasis on conformal and Venn-based approaches that provide…
Various applications of quantum algebraic techniques in nuclear and molecular physics are briefly reviewed. Emphasis is put in the study of the symmetries of the anisotropic quantum harmonic oscillator with rational ratios of frequencies,…
In the light of SU(3) flavor symmetry, the effective interaction Hamiltonian in tensor form is obtained by virtue of group representation theory. The strong and electromagnetic breaking effects are treated as a spurion octet so that the…
The alpha-cluster states of $^{22}$Ne are studied within the framework of the semimicroscopic algebraic cluster model (SACM). The band structure, energy spectrum as well as E2 and E1 transitions are calculated and are compared with the…
We find that a broken PT-symmetry operator when interacts with suitable Hermitian operator, new system becomes completely un-broken PT symmetry. Further on varying the contribution of Hermiticity one can delay or control the broken…
In this Master of Science Thesis I introduce geometric algebra both from the traditional geometric setting of vector spaces, and also from a more combinatorial view which simplifies common relations and operations. This view enables us to…
The use of dynamical symmetries or spectrum generating algebras for the solution of the nuclear many-body problem is reviewed. General notions of symmetry and dynamical symmetry in quantum mechanics are introduced and illustrated with…