Related papers: Coupled spin-lattice dynamics from the tight-bindi…
Intrinsic and Rashba spin-orbit interactions in strained graphene is studied within the tight-binding (TB) approach. Dependence of Slater-Koster (SK) parameters of graphene on strain are extracted by fitting the \emph{ab initio} band…
The consequences of coupling magnetic and elastic degrees of freedom, where spins and deformations are carried by point-like objects subject to local interactions, are studied, theoretically and by detailed numerical simulations. From the…
We present a method for total energy minimizations and molecular dynamics simulations based either on tight-binding or on Kohn-Sham hamiltonians. The method leads to an algorithm whose computational cost scales linearly with the system…
A common wisdom about quantum many-body systems is that emergent phases typically fall into either the Landau-Ginzburg paradigm or topological classifications. Experimentally realizing the intertwined emergence of spontaneous symmetry…
Quantum state transformations that are robust to experimental imperfections are important for applications in quantum information science and quantum sensing. Counterdiabatic (CD) approaches, which use knowledge of the underlying system…
A framework for performing event-driven, adaptive time step simulations of systems of rigid bodies interacting under stepped or terraced potentials in which the potential energy is only allowed to have discrete values is outlined. The…
The naturally weak spin-orbit coupling in Graphene can be largely enhanced by adatom deposition (e.g. Weeks et al. Phys. Rev. X 1, 021001 (2011)). However, the dynamics of the adatoms also induces a coupling between phonons and the electron…
We present an accurate ab initio tight-binding model, capable of describing the dynamics of Dirac points in tunable honeycomb optical lattices following a recent experimental realization [L. Tarruell et al., Nature 483, 302 (2012)]. Our…
We study the physics of the strong-coupling Hubbard model in a kagome lattice ribbon under mechanical tension and half-filling. It is known that in the absence of strain, the lattice symmetry of the system and strong electronic interactions…
We propose a trajectory-based method for simulating nonadiabatic dynamics in molecular systems with two coupled electronic states. Employing a quantum-mechanically exact mapping of the two-level problem to a spin-1/2 coherent state, we…
Ultrafast magnetization dynamics are governed by energy flow between electronic, magnetic, and lattice degrees of freedom. A quantitative understanding of these dynamics must be based on a model that agrees with experimental results for all…
The one-dimensional Ising model with its connections to several physical concepts plays a vital role in comprehension of several principles, phenomena and numerical methods. The Hamiltonian of a coupled one-dimensional dissipative spin…
In this paper we introduce a new mathematical model for the active contraction of cardiac muscle, featuring different thermo-electric and nonlinear conductivity properties. The passive hyperelastic response of the tissue is described by an…
We present algebraic diagrammatic construction theory for simulating spin-orbit coupling and electron correlation in charged electronic states and photoelectron spectra. Our implementation supports Hartree-Fock and multiconfigurational…
One presented some lattice models, while the theoretic derivation has not been found, and the importance of correlation effects has to be emphasized. On the basis of the non-relativistic Hamiltonian from the Dirac equation, we derive in…
We coherently manipulate spin correlations in a two-component atomic Fermi gas loaded into an optical lattice using spatially and time-resolved Ramsey spectroscopy combined with high-resolution \textit{in situ} imaging. This novel technique…
Electronic and lattice properties of MgB{$_2$} under uniaxial and hydrostatic compression are calculated. Lattice properties are optimized automatically by using the first-principles molecular dynamics (FPMD) method. Features of the…
In previous implementations of adiabatic quantum algorithms using spin systems, the average Hamiltonian method with Trotter's formula was conventionally adopted to generate an effective instantaneous Hamiltonian that simulates an adiabatic…
Photoexcited states are relaxed by transferring energy to the environments. In order to study which coupling allows fast energy transfer to lattice vibrations in correlated electron systems, we calculate the time evolutions of the kinetic…
We propose a scheme for investigating the quantum dynamics of interacting electron models by means of time-dependent variational principle and spin coherent states of space lattice operators. We apply such a scheme to the one-dimensional…