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An approach to generalize any kind of collinear functionals in density functional theory to non-collinear functionals is proposed. This approach, for the very first time, satisfies the correct collinear limit for any kind of functionals,…

Quantum Physics · Physics 2023-01-26 Zhichen Pu , Hao Li , Qiming Sun , Ning Zhang , Yong Zhang , Sihong Shao , Hong Jiang , Yiqin Gao , Yunlong Xiao

We develop a theory of thermal fluctuations of spin density emerging in a two-dimensional electron gas. The spin fluctuations probed at spatially separated spots of the sample are correlated due to Brownian motion of electrons and spin-obit…

Mesoscale and Nanoscale Physics · Physics 2015-08-05 A. V. Poshakinskiy , S. A. Tarasenko

The implementation of an efficient self-consistent field (SCF) method including both scalar relativistic effects and spin-orbit interaction in density functional theory (DFT) is presented. We make use of Gaussian-type orbitals (GTOs) and…

Chemical Physics · Physics 2024-05-03 Yannick J. Franzke , Werner M. Schosser , Fabian Pauly

The Runge-Gross [E. Runge, and E. K. U. Gross, Phys. Rev. Lett., 52, 997 (1984)] action functional of time-dependent density-functional theory leads to a well-known causality paradox, i.e., a perturbation of the electronic density in the…

Chemical Physics · Physics 2015-06-15 Martin A. Mosquera

The dynamics of strongly interacting trapped dilute Fermi gases (dilute in the sense that the range of interatomic potential is small compared with inter-particle spacing) is investigated in a single-equation approach to the time-dependent…

Soft Condensed Matter · Physics 2009-02-05 Yeong E. Kim , Alexander L. Zubarev

We apply our recently developed resonance perturbation theory to describe the dynamics of magnetization in paramagnetic spin systems interacting simultaneously with local and collective bosonic environments. We derive explicit expressions…

Quantum Physics · Physics 2015-05-27 M. Merkli , G. P. Berman , A. Redondo

A model of dissipative micromagnetics coupled to (visco-)elasticity is explored, following the procedures of the Ericksen-Leslie theory of nematic liquid crystals allowing for angular momentum due to magnetization. An outcome is the…

Soft Condensed Matter · Physics 2026-05-12 Amit Acharya , Siladitya Pal

We construct a density-functional formalism adapted to uniform external magnetic fields that is intermediate between conventional Density Functional Theory and Current-Density Functional Theory (CDFT). In the intermediate theory, which we…

Chemical Physics · Physics 2018-02-14 Erik I. Tellgren , Andre Laestadius , Trygve Helgaker , Simen Kvaal , Andrew M. Teale

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…

Soft Condensed Matter · Physics 2015-06-16 Ken Lichtner , Sabine H. L. Klapp

Time-dependent density functional theory (TDDFT) is a theory that describes the time evolution of quantum mechanical many-electron systems under the influence of external time-dependent electric and magnetic fields. INQ is a specially…

Employing the self-consistent Green's function approach, we studied the temperature dependence of the spin-wave stiffness in diluted magnetic semiconductors. Note that the Green's function approach includes the spatial and temperature…

Materials Science · Physics 2009-11-11 Shih-Jye Sun , Hsiu-Hau Lin

The domain wall depinning field represents the minimum magnetic field needed to move a domain wall, typically pinned by samples' disorder or patterned constrictions. Conventionally, such field is considered independent on the Gilbert…

Mesoscale and Nanoscale Physics · Physics 2017-11-17 Simone Moretti , Michele Voto , Eduardo Martinez

Detailed analysis of the magnetic properties of the Hubbard model within dynamical mean-field theory (DMFT) is presented. Using a RPA-like decoupling of two-particle propagators we derive a universal form for susceptibilities, which…

Strongly Correlated Electrons · Physics 2012-01-06 Sebastian Schmitt , Norbert Grewe , Torben Jabben

We apply the adiabatic time-dependent density functional theory to magnetic ci the real-space, real-time computational method. The standard formulas for the MCD response and its A and B terms are derived from the observables in the…

Chemical Physics · Physics 2015-05-20 K. -M. Lee , K. Yabana , G. F. Bertsch

We employ the linear response theory to calculate the polarization rate of heavy quark spin in the presence of a strong magnetic field and the hot QCD matter, both of which are simultaneously generated in relativistic heavy-ion collisions.…

Nuclear Theory · Physics 2025-05-27 Tianyang Li , Anping Huang , Baoyi Chen

Time-dependent density-functional theory (TDDFT) is deemed to be a formally rigorous way of dealing with the time-evolution of a many-electron system at the level of electron densities rather than the underlying wavefunctions, which in turn…

Chemical Physics · Physics 2024-11-26 Jochen Schirmer

Time-dependent density functional theory, proposed recently in the context of atomic diffusion and non-equilibrium processes in solids, is tested against Monte Carlo simulation. In order to assess the basic approximation of that theory, the…

Statistical Mechanics · Physics 2009-11-07 M. Kessler , W. Dieterich , H. L. Frisch , J. F. Gouyet , P. Maass

We propose a computationally efficient approach to the nonadiabatic time-dependent density functional theory (TDDFT) which is based on a representation of the frequency-dependent exchange correlation kernel as a response of a set of damped…

Mesoscale and Nanoscale Physics · Physics 2019-12-18 Dmitry R. Gulevich , Yaroslav V. Zhumagulov , Alexei V. Vagov , Vasili Perebeinos

We consider a two dimensional semiconductor with carriers subject to spin-orbit interactions and scattered by randomly distributed magnetic impurities. We solve the time-dependent Schroedinger equation to investigate the relationship…

Mesoscale and Nanoscale Physics · Physics 2017-08-23 T. L. van den Berg , A. Verga

A practical computational scheme based on time-dependent density functional theory (TDDFT) and ultrasoft pseudopotential (USPP) is developed to study electron dynamics in real time. A modified Crank-Nicolson time-stepping algorithm is…

Materials Science · Physics 2007-05-23 Xiaofeng Qian , Ju Li , Xi Lin , Sidney Yip