Related papers: Exploring Biorthonormal Transformations of Pair-Co…
Background: A recent coupled reaction channel (CRC) study shows that the enhanced oscillation of the elastic $^{16}$O+$^{12}$C cross section at backward angles is due mainly to the elastic $\alpha$ transfer or the core exchange. Such a…
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…
One of the most critical tasks at the very beginning of a quantum chemical investigation is the choice of either a multi- or single-configurational method. Naturally, many proposals exist to define a suitable diagnostic of the…
Orthogonal rational functions (ORF) on the unit circle generalize orthogonal polynomials (poles at infinity) and Laurent polynomials (poles at zero and infinity). In this paper we investigate the properties of and the relation between these…
Identifying and quantifying spatial correlation are important aspects of studying the collective behaviour of multi-agent systems. Pair correlation functions (PCFs) are powerful statistical tools which can provide qualitative and…
Bleher and Kuijlaars recently showed that the eigenvalue correlations from matrix ensembles with external source can be expressed by means of a kernel built out of special multiple orthogonal polynomials. We derive a Christoffel-Darboux…
Designing metal-organic frameworks (MOFs) synthesis protocols is currently largely driven by trial-and-error, since we lack fundamental understanding of the molecular level mechanisms that underlie their self-assembly processes. Previous…
For a restricted class of potentials (harmonic+Gaussian potentials), we express the resolvent integral for the correlation functions of simple traces of powers of complex matrices of size $N$, in term of a determinant; this determinant is…
Background: An accurate description of nuclear pairing gaps is extremely important for understanding static and dynamic properties of the inner crusts of neutron stars and to explain their cooling process. Purpose: We plan to study the…
Correlated ab-initio ground-state calculations, using relativistic energy-consistent pseudopotentials, are performed for six II-VI semiconductors. Valence ($ns,np$) correlations are evaluated using the coupled cluster approach with single…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
An atomic-orbital basis set framework is presented for carrying out velocity- gauge real-time time-dependent density functional theory (TDDFT) simulations in periodic systems employing range-separated hybrid functionals. Linear optical…
The one body density matrix, momentum distribution, natural orbits and quasi hole states of 16O and 40Ca are analyzed in the framework of the correlated basis function theory using state dependent correlations with central and tensor…
Natural orbital functional theory is considered for systems with one or more unpaired electrons. An extension of the Piris natural orbital functional (PNOF) based on electron pairing approach is presented, specifically, we extend the…
The effect of coupling between pairing and quadrupole triaxial shape vibrations on the low-energy collective states of $\gamma$-soft nuclei is investigated using a model based on the framework of nuclear energy density functionals (EDFs).…
In a recent work, we introduced the foundations of an orthogonally constrained complete active space self-consistent field (OC-CASSCF) framework that produces state-specific molecular orbitals for mutually orthogonal multiconfigurational…
We map the problem of the orbital excitation (orbiton) in a 2D antiferromagnetic and ferroorbital ground state onto a problem of a hole in 2D antiferromagnet. The orbiton turns out to be coupled to magnons and can only be mobile on a…
We perform detailed comparison of the semi-analytic halo model predictions with measurements in numerical simulations of the two and three point correlation functions (3PCF), as well as power spectrum and bispectrum. We discuss the accuracy…
A common approach to modeling dispersion interactions and overcoming the inaccurate description of long-range correlation effects in electronic structure calculations is the use of pairwise-additive potentials, as in the…
Closed orbit theory is generalized to the semiclassical calculation of cross-correlated recurrence functions for atoms in external fields. The cross-correlation functions are inverted by a high resolution spectral analyzer to obtain the…