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相关论文: On the thermodynamical analogy in spin-polarized d…

200 篇论文

There is controversy as to whether a one-dimensional (1D) electron gas can spin polarise in the absence of a magnetic field. Together with a simple model, we present conductance measurements on ultra low-disorder quantum wires supportive of…

We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…

材料科学 · 物理学 2007-05-23 Werner A. Hofer , Krisztian Palotas

A hydrodynamic description is used to study the zero-temperature properties of a trapped spinor Bose-Einstein condensate in the presence of a uniform magnetic field. We show that, in the case of antiferromagnetic spin-spin interaction, the…

介观与纳米尺度物理 · 物理学 2007-05-23 W. -J. Huang , S. -C. Gou

Spin is a fundamental property of any many-electron system. The ability of density functional theory to accurately predict the physical properties of a system, while varying its spin, is crucial for describing magnetic materials and…

化学物理 · 物理学 2024-11-05 Alon Hayman , Eli Kraisler , Tamar Stein

A non-local action functional for electrodynamics depending on the electric and magnetic fields, instead of potentials, has been proposed in the literature. In this work we elaborate and improve this proposal. We also use this formalism to…

高能物理 - 理论 · 物理学 2019-10-14 Joan Bernabeu , Jose Navarro-Salas

Density functional theory is discussed in the context of one-particle systems. We show that the ground state density $\rho_0(x)$ and energy $E_0$ are simply related to a family of external potential energy functions with ground state wave…

量子物理 · 物理学 2009-11-10 H. L. Neal

We derive the density functional for the ground-state energy of a two-dimensional, spin-polarized gas of neutral fermionic atoms with magnetic-dipole interaction, in the Thomas-Fermi-Dirac approximation. For many atoms in a harmonic trap,…

量子气体 · 物理学 2015-05-19 Bess Fang , Berthold-Georg Englert

The energy density method is generalized to include spin polarization with the full formalism derived based on spin-density functional theory, which aims at decomposing the total energy into well-defined atomic energies. The method involves…

材料科学 · 物理学 2026-04-27 Yang Dan , Dallas R. Trinkle

A semi-relativistic density-functional theory that includes spin-orbit couplings and Zeeman fields on equal footing with the electromagnetic potentials, is an appealing framework to develop a unified first-principles computational approach…

材料科学 · 物理学 2017-09-13 S. Pittalis , G. Vignale , F. G. Eich

An accurate analytical parametrization for the exchange-correlation free energy of the homogeneous electron gas, including interpolation for partial spin-polarization, is derived via thermodynamic analysis of recent restricted path integral…

化学物理 · 物理学 2015-06-17 Valentin V. Karasiev , Travis Sjostrom , James Dufty , S. B. Trickey

Coordinate scaling of each spin density separately is considered in spin density functional theory. A virial theorem relates the spin-scaled correlation energy to the spin-scaled correlation potentials. An adiabatic connection formula…

材料科学 · 物理学 2009-11-07 R. J. Magyar , T. K. Whittingham , K. Burke

The total energy of a quasi-one-dimensional electron system is calculated using density functional theory. It is shown that spontaneous ferromagnetic state in quantum wire occurs at low one-dimensional electron density. The critical…

介观与纳米尺度物理 · 物理学 2013-01-14 A. A. Vasilchenko

In the accompanying Comment [Phys. Rev. A {\bf 67}, 056501 (2003)], I. Lindgren and S. Salomonson claim to prove for the Kohn-Sham kinetic energy functional of ground state electron density that a Fr\"echet functional derivative exists,…

原子物理 · 物理学 2007-05-23 R. K. Nesbet

We introduce a non-equilibrium density-functional theory of local temperature and associated local energy density that is suited for the study of thermoelectric phenomena. The theory rests on a local temperature field coupled to the…

强关联电子 · 物理学 2014-05-16 F. G. Eich , M. Di Ventra , G. Vignale

A feature of the "modern theory" is that electric polarization is not well-defined in a metallic ground state. A different approach invokes the general existence of a complete set of exponentially localized Wannier functions, with respect…

介观与纳米尺度物理 · 物理学 2023-04-18 Perry T. Mahon , J. E. Sipe

Spin polarized states in neutron matter at a strong magnetic field are considered in the model with the Skyrme effective interaction (SLy4, SLy7 parametrizations). Analyzing the self-consistent equations at zero temperature, it is shown…

核理论 · 物理学 2009-12-28 A. A. Isayev , J. Yang

Small spin systems at the interface between analytical studies and experimental application have been intensively studied in recent decades. The spin ring consisting of four spins with uniform antiferromagnetic Heisenberg interaction is an…

统计力学 · 物理学 2023-04-19 Heinz-Jürgen Schmidt , Christian Schröder

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…

We introduced a new electron density n({\epsilon}) by projecting the spatial electron density n(r) onto the energy coordinate {\epsilon} defined with the external potential \upsion (r) of interest. Then, a density functional theory (DFT)…

化学物理 · 物理学 2018-02-20 Hideaki Takahashi

We consider a system of $N$ particles living on the noncommutative plane in the presence of a confining potential and study its thermodynamics properties. Indeed, after calculating the partition function, we determine the corresponding…

统计力学 · 物理学 2020-01-08 Rachid Houça , Ahmed Jellal