Related papers: Ab initio description of bcc iron with correlation…
We calculate the properties of the 4$d$ ferromagnet SrRuO$_3$ in bulk and thin film form with the aim of understanding the experimentally observed metal to insulator transition at reduced thickness. Although the spatial extent of the 4$d$…
In the context of tensor network states, we for the first time reformulate the corner transfer matrix renormalization group (CTMRG) method into a variational bilevel optimization algorithm. The solution of the optimization problem…
Ballistic Macroscopic Fluctuation Theory (BMFT) captures the evolution of fluctuations and correlations in systems where transport is strictly ballistic. We show that, for \emph{generic integrable models}, BMFT can be constructed through a…
The cosmic microwave background (CMB) polarisation and the 21 cm line fluctuations are powerful probes of cosmological reionisation. We study how the cross-correlation between the CMB polarisation (E-modes) and the 21 cm line fluctuations…
In the framework of ab initio dynamical mean field theory for realistic electronic structure calculations a new perturbation scheme which combine the T-matrix and fluctuating exchange approximations has been proposed. This method is less…
Cosmic polarization rotation, which may result from parity-violating new physics or the presence of primordial magnetic fields, converts $E$-mode polarization of the cosmic microwave background (CMB) into $B$-mode polarization. Anisotropic…
Novel phases of two dimensional electron systems resulting from new surface or interface modified electronic structures have generated significant interest in material science. We utilize photoemission spectroscopy to show that the…
A natural orbital functional for electronic systems with any value of the spin is proposed. This energy functional is based on a new reconstruction for the two-particle reduced density matrix (2RDM) of the multiplet, that is, of the mixed…
We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…
Time reversal dictates that nonmagnetic, centrosymmetric crystals cannot be spin-polarized as a whole. However, it has been recently shown that the electronic structure in these crystals can in fact show regions of high spin-polarization,…
The ground state energy of the two--dimensional uniform electron gas has been calculated with fixed--node diffusion Monte Carlo, including backflow correlations, for a wide range of electron densities as a function of spin polarization. We…
From density functional theory investigations helped with crystal chemistry rationale, single-atom C, embedded in layered hexagonal CCn with n = 6, 12, 18 networks, is stable in a magnetic state with M(C)= 2 Bohr Magneton (BM). The examined…
Recently, magic-angle twisted bilayer graphene (MATBLG) has shown the emergence of various interaction-driven novel quantum phases at the commensurate fillings of the moir'e superlattice, while the charge neutrality point (CNP) remains…
The correlated motion of electrons in the presence of strong orbital fluctuations and correlations is investigated with respect to magnetic couplings and excitations in an orbitally degenerate ferromagnet. Introduction of the orbital degree…
We present a set of notes, meant for quick reference, on radiative spin polarization, computer algorithms and spin matching in electron storage rings.
In the recent work of S. Sharma \emph{et al.}, (arxiv.org: arxiv:0912.1118), a single-electron spectrum associated with the natural orbitals was defined as the derivative of the total energy with respect to the occupation numbers at half…
We study the equilibration properties of isolated ergodic quantum systems initially prepared in a cat state, i.e a macroscopic quantum superposition of states. Our main result consists in showing that, even though decoherence is at work in…
The magnetic field B_c, in which the electrons become fully spin-polarized, is found to be proportional to the deviation of the electron density from the zero-field metal-insulator transition in a two-dimensional electron system in silicon.…
We apply the biorthonormal transfer-matrix renormalization group (BTMRG) [Phys. Rev. E 83, 036702 (2011)] to study low-temperature properties of quantum spin chains. Simulation on isotropic Heisenberg spin-1/2 chain demonstrates that the…
We compare two rotationally invariant decomposition techniques on linear polarisation data: the spin-2 spherical harmonic decomposition in two opposite parities, the $E$- and $B$-mode, and the multiscale analysis of the gradient of linear…