English
Related papers

Related papers: $N$-representability in non-collinear spin-polariz…

200 papers

We apply a spin-coherent states formalism to study the central-spin model with monochromatic bath and symmetric coupling (the Mermin model); in particular, we derive analytic expressions for the density of states in the thermodynamic limit…

Statistical Mechanics · Physics 2012-06-21 Savannah Sterling Garmon , Pedro Ribeiro , Rémy Mosseri

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…

High Energy Physics - Theory · Physics 2025-07-10 Manuel Loparco , Joao Penedones , Kamran Salehi Vaziri , Zimo Sun

The distribution of noncollinear magnetism in an electronic system provides information about the kinetic energy as well as some kinetic energy densities. Two different everywhere-positive kinetic densities related to the…

Chemical Physics · Physics 2018-03-14 Erik I. Tellgren

The total energies and the spin states for atoms and their first ions with Z = 1-86 are calculated within the the local spin-density approximation (LSDA) and the generalized-gradient approximation (GGA) to the exchange-correlation (xc)…

Chemical Physics · Physics 2015-05-20 Eli Kraisler , Guy Makov , Itzhak Kelson

We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer approximation. The two fundamental quantities in terms of which…

Materials Science · Physics 2007-05-23 Thomas Kreibich , Robert van Leeuwen , E. K. U. Gross

A spin-current density-functional theory (SCDFT) is introduced, which takes into account currents of the spin-density and thus currents of the magnetization in addition to the electron density, the non-collinear spin-density, and the…

Materials Science · Physics 2009-11-11 Stefan Rohra , Andreas Goerling

The practical success of density functional theory (DFT) is largely credited to the Kohn-Sham approach, which enables the exact calculation of the non-interacting electron kinetic energy via an auxiliary noninteracting system. Yet, the…

Computational Physics · Physics 2025-03-21 Sangita Majumdar , Zekun Shi , Giovanni Vignale

The invertable map of spin state density operator onto quasiprobability distribution of three continuous variables is constructed. The connection with two-mode electromagnetic field oscillators is discussed. The inversion formula for…

Quantum Physics · Physics 2013-05-14 Dmitry B. Lemeshevskiy , Vladimir I. Man'ko

We show an application of the functional-renormalization-group aided density functional theory to the homogeneous electron gas with arbitrary spin polarization, which gives the energy density functional in the local spin density…

Strongly Correlated Electrons · Physics 2022-01-12 Takeru Yokota , Tomoya Naito

We consider a scenario where interacting electrons confined in quantum dots (QDs) are either too close to be resolved, or we do not wish to apply measurements that resolve them. Then the physical observable is an electron spin only (one…

Strongly Correlated Electrons · Physics 2009-11-13 Sharif D. Kunikeev , Daniel A. Lidar

Accurate modeling of spin-orbit coupling and noncollinear magnetism requires noncollinear density functionals within the two-component generalized Kohn-Sham (GKS) framework, yet constructing and implementing noncollinear functionals remains…

Materials Science · Physics 2025-11-26 Xiaoyu Zhang , Taoni Bao

We generalize the Majorana stellar representation of spin-$s$ pure states to mixed states, and in general to any hermitian operator, defining a bijective correspondence between three spaces: the spin density-matrices, a projective space of…

Quantum Physics · Physics 2020-03-04 E. Serrano-Ensástiga , D. Braun

We propose to expand the territory of density functional theory to strongly correlated electrons by reformulating the Kohn-Sham scheme in the representation of fractionalized particles. We call it the ``KS* scheme.'' Using inhomogeneous…

Computational Physics · Physics 2025-04-08 Bo Zhao , Jingyu Zhao , Zheng Zhu , Jian Wu , Zheng Liu

A new method is presented that allows for efficient evaluation of spin-orbit coupling (SOC) in density-functional theory calculations. In the so-called second-variational scheme, where Kohn-Sham functions obtained in a scalar-relativistic…

Materials Science · Physics 2023-06-06 Cecilia Vona , Sven Lubeck , Hannah Kleine , Andris Gulans , Claudia Draxl

The problem of stability of saturated and non-saturated ferromagnetism in the Hubbard model is considered in terms of the one-particle Green's functions. Approximations by Edwards and Hertz and some versions of the self-consistent…

Strongly Correlated Electrons · Physics 2009-11-07 V. Yu. Irkhin , A. V. Zarubin

For certain non-magnetic solids with low symmetry the occurrence of spin-polarized longitudinal currents is predicted. These arise due to an interplay of spin-orbit interaction and the particular crystal symmetry. This result is derived…

Mesoscale and Nanoscale Physics · Physics 2015-07-08 S. Wimmer , M. Seemann , K. Chadova , D. Ködderitzsch , H. Ebert

We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…

Strongly Correlated Electrons · Physics 2015-05-13 Paola Gori-Giorgi , Michael Seidl , G. Vignale

Within exact electron density-functional theory, we investigate Kohn-Sham (KS) potentials, orbital energies, and non-interacting kinetic energies of the fractional ions of Li, C and F. We use quantum Monte Carlo densities as input, which…

Chemical Physics · Physics 2014-11-14 Tim Gould , Julien Toulouse

The notion of spin squeezing has been discussed in this paper using the density matrix formalism. Extending the definition of squeezing for pure states given by Kitagawa and Ueda in an appropriate manner and employing the spherical tensor…

Quantum Physics · Physics 2009-11-06 K. S. Mallesh , Swarnamala Sirsi , Mahmoud A. A. Sbaih , P. N. Deepak , G. Ramachandran

Under an in-plane magnetic field, the density of states of quasi two-dimensional carriers deviates from the occasionally stereotypic step-like form both quantitatively and qualitatively. For the first time, we study how this affects the…

Materials Science · Physics 2008-02-04 Constantinos Simserides
‹ Prev 1 4 5 6 7 8 10 Next ›