Related papers: Spin-Adapted TDDFT
A theory of Rydberg atom interactions is used to derive analytical forms for the spin wave pair correlation function in laser-excited cold-atom vapors. This function controls the quantum statistics of light emission from dense,…
An exact theoretical framework based on Time Dependent Density Functional Theory (TDDFT) is proposed in order to deal with the time-dependent quantum transport in fully interacting systems. We use a \textit{partition-free} approach by Cini…
We develop a covariant formalism to investigate the mixed state entanglement structure of time-dependent boosted subsystems in $\textrm{T}\bar{\textrm{T}}$ deformed CFT$_2$s through the reflected entropy. To this end we utilize the…
Current-spin density functional theory (CSDFT) provides a framework to describe interacting many-electron systems in a magnetic field which couples to both spin- and orbital-degrees of freedom. Unlike in usual (spin-) density functional…
The dominant majority of the hundreds of available spin-crossover compounds, including the technologically most promising ones, are based on the Earth-abundant metal iron, making these switches particularly appealing in terms of sustainable…
The problem of capturing physical spin torques in non-collinear magnetic systems has dominated the scene of spin-density functional theory (SDFT) in the last two decades. Progress has been hindered by the fact that the spin torque is…
Exact bound state solutions of the Dirac equation for the Kratzer potential in the presence of a tensor potential are studied by using the Laplace transform approach for the cases of spin- and pseudo-spin symmetry. The energy spectra is…
There are two main reasons for absence of the practical theory of stripping to resonance states which could be used by experimental groups: numerical problem of the convergence of the DWBA matrix element when the full transition operator is…
The general expectation that, in principle, time-dependent density functional theory (TDDFT) be an exact formulation of the time-evolution of an interacting N-electron system is critically reexamined. It is demonstrated that the previous…
An effective two-spin density matrix (TSDM) for a pair of spin-$1/2$ degree of freedom, residing at a distance of $R$ in a spinful Fermi sea, can be obtained from the two-electron density matrix following the framework prescribed in Phys.…
We review recent advances on the theory of spin qubits in nanostructures. We focus on four selected topics. First, we show how to form spin qubits in the new and promising material graphene. Afterwards, we discuss spin relaxation and…
Light-matter interaction allows to achieve non-equilibrium states that are otherwise inaccessible. Motivated by recent experiments that report ferroelectricity -- and even multiferroicity -- in the prototypical diamagnetic band insulator…
The spin dynamics of electrons in chiral molecular systems remain a topic of intense interest, particularly regarding whether geometric chirality inherently induces spin polarization in current-carrying electrons. In this work, we employ ab…
We explore several random phase approximation (RPA) correlation energy variants within the adiabatic-connection fluctuation-dissipation theorem approach. These variants differ in the way the exchange interactions are treated. One of these…
Frustrated triangular molecular magnets (MMs) with anti-ferromagnetic ground states (GS) are an important class of magnetic systems with potential applications in quantum information processing. The two-fold degenerate GS of these…
The time-dependent Schrodinger equation of a many particle spin system consisting of an electron in a quantum dot interacting with the spins of the nuclei (N) in the dot due to hyperfine interaction is solved exactly for a given arbitrary…
A quantum-mechanical (QM) method rooted on density functional theory (DFT) has been employed to determine conformations of the methane-thiosulfonate spin label (MTSL) attached to a fragment extracted from the activation loop of Aurora-A…
We extend the previous study of extracting crystalline symmetry-protected topological invariants to the correlated regime. We construct the interacting Hofstadter model defined on square lattice with the rotation and translation symmetry…
We demonstrate that ground state energies approaching chemical accuracy can be obtained by combining the adiabatic connection fluctuation-dissipation theorem (ACFDT) with time-dependent density functional theory (TDDFT). The key ingredient…
Rydberg atoms trapped by optical tweezers have emerged as a versatile platform to emulate lattices with different geometries, in which long-range interacting spins lead to fascinating phenomena, ranging from spin liquids to topological…