Related papers: Natural orbital functional for spin-polarized peri…
We introduce the concept of natural super-orbitals for many-body operators, defined as the eigenvectors of the one-body super-density matrix associated with a vectorized operator. We relate these objects to measures of non-Gaussianity of…
We derive Keplerian-type parametrization for the solution of post-Newtonian (PN) accurate conservative dynamics of spinning compact binaries moving in eccentric orbits. The PN accurate dynamics that we consider consists of the third…
This paper aims at introducing the formal foundations of the application of reduced density-matrix theory and Green's function theory to the analysis of molecular electronic transitions. For this sake, their mechanics, applied to specific…
Different steps leading to the new functional for pairing based on natural orbitals and occupancies proposed in ref. [D. Lacroix and G. Hupin, arXiv:1003.2860] are carefully analyzed. Properties of quasi-particle states projected onto good…
We present a general theory for semiconductor polarons in the framework of the Froehlich interaction between electrons and phonons. The latter is investigated using non-commuting phonon creation/annihilation operators associated with a…
A model Hamiltonian is introduced which considers the main features of the experimental spin filter situation as s-f interaction, planar geometry and the strong external electric field. The proposed many-body model can be solved…
We study electric polarization and nonlinear optical effects in spin systems with broken inversion symmetry. We apply strong coupling expansion to the underlying electronic Hamiltonians, and systematically derive expressions for electric…
Spin-polarized electron transport driven by inhomogeneous magnetic dynamics is discussed in the limit of a large exchange coupling. Electron spins rigidly following the time-dependent magnetic profile experience spin-dependent fictitious…
A new class of orbital-dependent exchange-correlation (xc) potentials for applications in noncollinear spin-density-functional theory is developed. Starting from the optimized effective potential (OEP) formalism for the exact exchange…
The orbital basis is natural when one needs to calculate the effect of local interactions or to unravel the role of orbital physics in the response to external probes. In systems with nonsymmorphic point groups, such as the iron-based…
Magnetoelectrics often possess ions located in noncentrosymmetric surroundings. Based on this fact we suggest a microscopic model of magnetoelectric interaction and show that the spin-orbit coupling leads to spin-dependent electric dipole…
We present a quantum mechanical theory of optically induced dynamic nuclear polarization applicable to quantum dots and other interacting spin systems. The exact steady state of the optically driven coupled electron-nuclear system is…
A general multi-orbital Hubbard model, which includes on-site inter-orbital electron hoppings, is introduced and studied. It is shown that the on-site inter-orbital single electron hopping is one of the most basic interactions. Two electron…
The UHF wave function may be written as a spin-contaminated \textit{pair} wave function of the APSG form, and the overlap of the alpha and beta corresponding orbitals of the UHF solution can be taken as a proxy for the strength of the…
We perform a systematic exact diagonalization study of spin-orbit coupling effects for stationary few-electron states confined in quasi two-dimensional double quantum dots. We describe the spin-orbit-interaction induced coupling between…
Compact binary systems emitting gravitational waves (GWs) can exhibit orbital eccentricity, along with generic spin orientations, leading to the precession of the orbital angular momentum, individual spins, and the orbital plane. While…
A two-orbital model for Fe-pnictide superconductors is investigated using computational techniques on two-dimensional square clusters. The hopping amplitudes are derived from orbital overlap integrals, or by band structure fits, and the…
A one-dimensional model of coupled spin-1/2 spins and pseudospin-1/2 orbitals with nearest-neighbor interaction is rigorously shown to exhibit spin-orbital separation by means of a non-local unitary transformation. On an open chain, this…
Trapped atomic ion qubits or effective spins are a powerful quantum platform for quantum computation and simulation, featuring densely connected and efficiently programmable interactions between the spins. While native interactions between…
We discuss the polarization dynamics during solid effect dynamic nuclear polarization (DNP) in a central spin model that consists of an electron surrounded by many nuclei. To this end we use a recently developed formalism and validate first…