Related papers: Non-perturbative calculation of orbital- and spin …
The one-band Hubbard model at half-filling on a truncated tetrahedron (C$_{12}$), and on the C$_{60}$ molecule is studied. Within the Hartree-Fock approximation, we find a magnetic-like instability of the `Fermi sea' towards a spin-ordered…
We propose two different schemes for second-order perturbation theory with spin-projected Hartree-Fock. Both schemes employ the same ansatz for the first-order wave function, which is a linear combination of spin-projected configurations.…
We analytically compute the orbital effects induced on the motion of a spinning particle geodesically traveling around a central rotating body by the general relativistic two-body spin-spin and spin-orbit interactions. We use the weak-field…
Electrical readout of 180$^\circ$ switching in strictly compensated collinear antiferromagnets remains a major challenge in antiferromagnetic spintronics. Electrical writing of perpendicularly magnetized ferromagnets by out-of-plane orbital…
We present unrestricted Hartree Fock method coupled with configuration interaction (CI) method (URHF-CI) suitable for the calculation of ground and excited states of large number of electrons localized by complex gate potentials in…
We develop generalization of the fixed-phase diffusion Monte Carlo method for Hamiltonians which explicitly depend on particle spins such as for spin-orbit interactions. The method is formulated in zero variance manner and is similar to…
Measuring the Hamiltonian of dipolar coupled spin systems is usually a difficult task due to the high complexity of their spectra. Currently, molecules with unknown geometrical structure and low symmetry are extremely tedious or impossible…
We introduce a generic approach to study interaction effects in diffusive or chaotic quantum dots in the Coulomb blockade regime. The randomness of the single-particle wave functions induces randomness in the two-body interaction matrix…
We study the spin-dependent magneto conductance in mesoscopic rings subject to an inhomogeneous in-plane magnetic field. We show that the polarization direction of transmitted spin-polarized electrons can be controlled via an additional…
Magnetism and spin physics are true quantum mechanical effects and their description usually requires multi reference methods and is often hidden in the standard description of molecules in quantum chemistry. In this work we present a…
Ground state energies and decay widths of particle unstable nuclei are calculated within the Hartree-Fock approximation by performing a complex scaling of the many-body Hamiltonian. Through this transformation, the wave functions of the…
This paper describes a very general approach to the calculation of the Zeeman splitting effect produced by an external magnetic field on the rotational levels of diatomic molecules. The method is valid for arbitrary values of the total…
Relativistic self-consistent mean-field (SCMF) models naturally account for the coupling of the nucleon spin to its orbital motion, whereas non-relativistic SCMF methods necessitate a phenomenological ansatz for the effective spin-orbit…
Using the gravitational potential and source multipole moments bilinear in the spins, first computed to next-to-leading order (NLO) in the post-Newtonian (PN) expansion within the effective field theory (EFT) framework, we complete here the…
We consider properties of a two-dimensional electron system in a random magnetic field. It is assumed that the magnetic field not only influences orbital electron motion but also acts on the electron spin. For calculations, we suggest a new…
The properties of S = 1 anisotropic Heisenberg models with nondiagonal exchange between axial and planar spin components are investigated using Monte Carlo techniques. The quantum nature is taken into account in a semi-classical…
Molecular nanomagnets show clear signatures of coherent behavior and have a wide variety of effective low-energy spin Hamiltonians suitable for encoding qubits and implementing spin-based quantum information processing. At the nanoscale,…
We have performed a systematic calculation for the non-Markovian dynamics of a localized electron spin interacting with an environment of nuclear spins via the Fermi contact hyperfine interaction. This work applies to an electron in the s…
We generalize the treatment of the electronic spin degrees of freedom in density functional calculations to the case where the spin vector variables employed in the definition of the energy functional can vary in any direction in space. The…
A general algorithm for computing the quadrupole-hyperfine effects in the rovibrational spectra of polyatomic molecules is presented for the case of ammonia (NH$_3$). The method extends the general variational approach TROVE by adding the…