Related papers: Quasi-relativistic approach to analytical gradient…
In Quantum Chromodynamics (QCD) the eigenmodes of the Dirac operator with small absolute eigenvalues have a close relationship to the dynamical breaking of the chiral symmetry. In a simulation with two dynamical quarks, we study the…
I discuss the prospects for future studies of parity-violating (PV) interactions at low energies and the insights they might provide about open questions in the Standard Model as well as physics that lies beyond it. I cover four types of…
In natural processes involving weak interactions, a violation of spatial parity conservation should appear. Its effects are expected to be observable in molecules using different spectroscopic methodologies, but due to the tiny magnitude of…
Analytical Hartree-Fock gradients with respect to the cell parameter have been implemented in the electronic structure code CRYSTAL, for the case of one and two-dimensional periodicity. As in most molecular codes, Gaussian type orbitals are…
An analytical model is developed to investigate the interaction of quasi longitudinal (qP) waves with a perfectly bonded interface between a thermo piezoelectric half space and a functionally graded piezoelectric half space. The formulation…
Vibrational polaritons form in a planar Fabry-Perot microcavity when a vibrational mode of a layer of molecules is near resonant with an infrared cavity mode. Herein, dispersion relations of vibrational polaritons are studied when the…
An analytical gradient theory for single-state N-electron valence state perturbation theory (NEVPT2), using both strongly contracted (SC) and partially contracted (PC) internal contraction schemes, is developed. We demonstrate the utility…
A paramount goal in the field of nuclear physics is to unify ab-initio treatments of bound and unbound states. The position-space quantum Monte Carlo (QMC) methods have a long history of successful bound state calculations in light systems…
A new concept, called quasi-linear transfer functions (QLTF), which can be used to characterize the output frequency behaviour of nonlinear systems, is introduced based on the well-known Volterra series representation. By using the new…
Variational quantum metrology represents a powerful tool for optimizing generic estimation strategies, combining the principles of variational optimization with the techniques of quantum metrology. Such optimization procedures result…
We investigate the quasinormal modes (QNMs) of Planck stars within the framework of scale-dependent gravity (SDG). In our setup, the running parameter $\alpha$ is fixed to a negative value by matching the effective Newtonian potential to…
Understanding the vibrational and thermal properties of amorphous solids is one of the most discussed and long-standing issues in condensed matter physics. Recent works have made significant steps towards understanding harmonic vibrational…
The dominant mechanism of low-energy positron annihilation in polyatomic molecules is through positron capture in vibrational Feshbach resonances (VFR). In this paper we investigate theoretically the effect of anharmonic terms in the…
A rigorous analysis is carried out concerning the use of Cholesky decomposition (CD) of two-electron integrals in the case of quantum-chemical calculations with finite or perturbative magnetic fields and gauge-including atomic orbitals. We…
Chiral four-wave-mixing signals are calculated using the irreducible tensor formalism. Different polarization and crossing angle configurations allow to single out the magnetic dipole and the electric quadrupole interactions. Other…
We calculate the low-lying part of the spectrum of the $Z_3$-symmetrical chiral Potts quantum chain in its self-dual and integrable versions, using numerical diagonalisation of the hamiltonian for $N \leq 12$ sites and extrapolation $N \ra…
Variational inference (VI) is a popular method for approximating intractable posterior distributions in Bayesian inference and probabilistic machine learning. In this paper, we introduce a general framework for quantifying the statistical…
The phase equivalence of the theoretical quark mixing matrix ${\bf V}^{th}$ derived from the breaking of the flavour permutational symmetry and the phenomenological parametrizations ${\bf V}^{PDG}$ and ${\bf V}^{KM}$ is explicitly…
We present a novel and unifying framework for constructing spectral approximations to fractional integral operators. These spectral approximations are based on transplanted Chebyshev polynomials, which are obtained by composing Chebyshev…
We present a brief review of our progress towards measuring parity violation in heavy-metal chiral complexes using mid-infrared Ramsey interferometry. We discuss our progress addressing the main challenges, including the development of…