Related papers: Geometrical Perspective on Spin-Lattice Density-Fu…
In our previous work [J. Chem. Phys. \textbf{136}, 024502 (2012)], we reported a demixing phase transition of a two-dimensional, binary Heisenberg fluid mixture driven by the ferromagnetic interactions of the magnetic species. Here, we…
Based on the work of Gorling and that of Levy and Nagy, density-functional formalism for many Fermionic excited-states is explored through a careful and rigorous analysis of the excited-state density to external potential mapping. It is…
A new class of orbital-dependent exchange-correlation (xc) potentials for applications in noncollinear spin-density-functional theory is developed. Starting from the optimized effective potential (OEP) formalism for the exact exchange…
We study two-point functions of symmetric traceless local operators in the bulk of de Sitter spacetime. We derive the K\"all\'en-Lehmann spectral decomposition for any spin and show that unitarity implies its spectral densities are…
The magnetic properties of a system of coexisting localized spins and conduction electrons are investigated within an extended version of the one dimensional Kondo lattice model in which effects stemming from the electron-lattice and…
A covariant hamiltonian formalism for the dynamics of compact spinning bodies in curved space-time in the test-particle limit is described. The construction allows a large class of hamiltonians accounting for specific properties and…
The distribution of the deformations of elementary cells is studied in an abstract lattice constructed from the existence of the empty set. One combination rule determining oriented sequences with continuity of set-distance function in such…
Density functional theory stems from the Hohenberg-Kohn-Sham-Mermin (HKSM) theorem in the grand canonical ensemble (GCE). However, as recent work shows, although its extension to the canonical ensemble (CE) is not straightforward, work in…
We present a real-space formulation and implementation of Kohn-Sham Density Functional Theory suited to twisted geometries, and apply it to the study of torsional deformations of X (X = C, Si, Ge, Sn) nanotubes. Our formulation is based on…
Density functional theory (DFT) is an indispensable ab initio method in both quantum chemistry and condensed matter physics. Based on recent advancements in reduced density matrix functional theory (RDMFT), a variant of DFT that is believed…
We examine spin vortices in ferromagnetic quantum Heisenberg models with planar anisotropy on two-dimensional lattices. The symmetry properties and the time evolution of vortices built up from spin-coherent states are studied in detail.…
This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…
Starting from the hamiltonian for the Heisenberg ferromagnet which comprise randomly distributed nonmagnetic ions as impurities in a Bravais lattice, we express the spin operators by means of the Dyson-Maleev transformation in terms of the…
Optically active solid-state spin defects are promising candidates for quantum applications, however a unified theoretical framework to predict their spin dynamics at high temperatures is not yet available. Here, using Kubo linear--response…
A new realization of the conformal algebra is studied which mimics the behaviour of a statistical system on a discrete albeit infinite lattice. The two-point function is found from the requirement that it transforms covariantly under this…
To set up a self-consistent quantum field theory of degenerate systems, the unperturbed state should be described by a density matrix instead of a pure state. This increases the combinatorial complexity of the many-body equations. Hopf…
A group of non-uniform quantum lattice Hamiltonians in one dimension is introduced, which is related to the hyperbolic $1 + 1$-dimensional space. The Hamiltonians contain only nearest neighbor interactions whose strength is proportional to…
Despite nearly a century of study of the $S=1/2$ Heisenberg model on the square lattice, there is still disagreement on the nature of its high-energy excitations. By tuning toward the Heisenberg model from the exactly soluble Ising limit,…
Recent experimental progress in magnetic atoms and polar molecules has created the prospect of simulating dipolar Hubbard models with off-site interactions. When applied to real-space cylindrical optical lattices, these anisotropic…
We study stochastic homogenisation of free-discontinuity surface functionals defined on piecewise rigid functions which arise in the study of fracture in brittle materials. In particular, under standard assumptions on the density, we show…