Related papers: User guide for the hfbcs-qrpa(v1) code
We present the results of calculations of outer shell non-dipole angular anisotropy parameters for semi-filled shell atoms in the Hartree-Fock (HF) one-electron approximation and with account of inter-electron correlations in the frame of…
An effective Hamiltonian without symmetry restriction has been developed to model the rotational and fine structure of two nearly degenerate electronic states of an open-shell molecule. In addition to the rotational Hamiltonian for an…
We suggest a generalized method for elimination of spurious admixtures (SA) from intrinsic nuclear excitations described within the Quasiparticle-Random-Phase-Approximation (QRPA). Various kinds of SA-corrections are treated at the same…
The self-consistent theory of the correlation effects in Highly Correlated Systems(HCS) is presented. The novel Irreducible Green's Functions(IGF) method is discused in detail for the Hubbard model and random Hubbard model. The…
We introduce HP, an implementation of density-functional perturbation theory, designed to compute Hubbard parameters (on-site $U$ and inter-site $V$) in the framework of DFT+$U$ and DFT+$U$+$V$. The code does not require the use of…
While CCSD(T) with spin-restricted Hartree-Fock (RHF) orbitals has long been lauded for its ability to accurately describe closed-shell interactions, the performance of CCSD(T) on open-shell species is much more erratic, especially when…
Role of pairing correlation for emergence of low-frequency vibrational excitations in neutron drip line nuclei is discussed paying special attention to neutrons with small orbital angular momentum l. Self-consistent pairing correlation in…
The existence of coherent quasiparticles near the Fermi energy in the low temperature state of high-temperature superconductors has been well established by angle-resolved photoemission spectroscopy (ARPES). This technique directly probes…
Using the adiabatic connection, we formulate the free energy in terms of the correlation function of a fictitious system, $h_{\lambda}({\bf r},{\bf r}')$, where $\lambda$ determines the interaction strength. To obtain $h_{\lambda}({\bf…
As a follow up of [Phys. Scr. 99 055305 (2024)], where we studied axial octupole shapes in two-quasiparticle states of even-even nuclei, we investigate this type of shapes in odd-mass and odd-odd well-deformed nuclei, using the…
Background: To access selected excited states of nuclei, within the framework of nuclear density functional theory, the quasiparticle random phase approximation (QRPA) is commonly used. Purpose: We present a computationally efficient, fully…
In this paper, we compare the finite-length performance of protograph-based spatially coupled low-density parity-check (SC-LDPC) codes and LDPC block codes (LDPC-BCs) over GF(q). In order to reduce computational complexity and latency, a…
In many approximate approaches to fermionic quantum many-body systems, such as Hartree-Fock and density functional theory, solving a system of non-interacting fermions coupled to some effective potential is the computational bottleneck. In…
Within the framework of the Charge Density Wave Quantum Critical Point (CDW-QCP) scenario for high-T_c superconductors (HTCS), we introduce a model for tight-binding electrons coupled to quasi-critical fluctuations. In the normal state our…
Collective nuclear excitations, like giant resonances, are sensitive to nuclear deformation, as evidenced by alterations in their excitation energies and transition strength distributions. A common theoretical framework to study these…
The multipartite non-Hermitian Su-Schrieffer-Heeger model is explored as a prototypical example of one-dimensional systems with several sublattice sites for unveiling intriguing insulating and metallic phases with no Hermitian counterparts.…
In this work, the effect of uniaxial pressure along the c axis on the electronic structure of the HTSC cuprate La2-xSrxCuO4 is investigated at the doping levels x = 0.1, 0.15, 0.25. The GTB method within the five-band p-d model framework is…
We study the reliability of the constrained random phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multi-orbital lattice models with one strongly correlated "target" band and two…
We extend our assessment of the potential of perturbative coupled cluster (CC) expansions for a test set of open-shell atoms and organic radicals to the description of quadruple excitations. Namely, the second- through sixth-order models of…
The spectral singularity (SS) and coherent perfect absorption (CPA) have been extensively studied over the last one and half decade for different non-Hermitian potentials in non-Hermitian standard quantum mechanics (SQM) governed by…