Related papers: Large-J approach to strongly coupled spin-orbital …
We employ a generalized variational principle to improve the stability, reliability, and precision of fully excited-state-specific complete active space self-consistent field theory. Compared to previous approaches that similarly seek to…
We investigate heavy fermion behaviors in the vanadium spinel LiV_2O_4. We start from a three-orbital Hubbard model on the pyrochlore lattice and derive its low-energy effective Hamiltonian by an approach of real-space renormalization group…
The extensive analysis of the dynamics of relativistic spinning particles is presented. Using the coadjoint orbits method the Hamiltonian dynamics is explicitly described. The main technical tool is the factorization of general Lorentz…
A general-order open-shell coupled-cluster method based on spatial orbitals is formulated. The method is an extension of the partial-spin adaptation (PSA) scheme from Janssen and Schaefer (Theor. Chim. Acta, 79, 1-42, 1991). By increasing…
Building upon the worldline effective field theory (EFT) formalism for spinning bodies developed for the Post-Newtonian regime, we generalize the EFT approach to Post-Minkowskian (PM) dynamics to include rotational degrees of freedom in a…
We examine magnon and orbiton behavior in localized O$_2$ anti-bonding molecular $\pi^*$ orbitals using an effective Kugel-Khomskii Hamiltonian derived from a two band Hubbard model with hopping parameters taken from {\em ab initio} density…
We use an effective field theory (EFT) approach to calculate the next to leading order (NLO) gravitational spin-orbit interaction between two spinning compact objects. The NLO spin-orbit interaction provides the most computationally complex…
The consequences of the Jahn-Teller (JT) orbital-lattice coupling for magnetism of pseudospin J_{eff}=1/2 and J_{eff}=0 compounds are addressed. In the former case, represented by Sr_2IrO_4, this coupling generates, through the so-called…
We study a one-dimensional Hamiltonian consisting of coupled SU(2) spin and orbital degrees of freedom. Using the density matrix renormalization group, we calculate the phase-diagram and the ground state correlation functions for this…
We report on {\it ab initio} time-dependent spin dynamics simulations for a two-center magnetic molecular complex based on time-dependent non-collinear spin density functional theory. In particular, we discuss how the dynamical behavior of…
Strongly interacting spins underlie many intriguing phenomena and applications ranging from magnetism to quantum information processing. Interacting spins combined with motion display exotic spin transport phenomena, such as superfluidity…
We investigate magnetic properties in the $S=1$ Kitaev model in the anisotropic limit. Performing the fourth-order perturbation expansion with respect to the $x$-bonds, $y$-bonds, and magnetic field, we derive the effective Hamiltonian,…
We study the strong coupling limit of the extended Hubbard model in two dimensions. The model consists of hopping, on-site interaction, nearest-neighbor interaction, spin-orbit coupling and Zeeman spin splitting. While the study of this…
We consider the spin--orbital model for a magnetic system with singly occupied but triply degenerate $t_{2g}$ orbitals coupled into a planar, triangular lattice, as would be exemplified by NaTiO$_2$. We investigate the ground states of the…
In this contribution, we start off from a fully relativistic description of a single electron non-minimally coupled to an external electromagnetic field. Making direct use of the field equation, instead of canonically deriving from the…
Fourth-order strong-coupling degenerate perturbation theory is used to derive an effective low-energy Hamiltonian for the Kondo-lattice model with a depleted system of localized spins. In the strong-J limit, completely local Kondo singlets…
Motivated by the interest in topological quantum paramagnets in candidate spin-$1$ magnets, we investigate the diamond lattice compound NiRh$_2$O$_4$ using {\it ab initio} theory and model Hamiltonian approaches. Our density functional…
In the paper we investigate the evolution of the relativistic particle (massive and massless) with spin defined by Hamiltonian containing the terms with momentum-spin-orbit coupling. We integrate the corresponding Hamiltonian equations in…
We study the effect of spin-phonon coupling in small magnetic clusters, concentrating on a S=1/2 ring of 4 spins coupled antiferromagnetically. If the phonons are treated as classical variables, there is a critical value of the spin-phonon…
We show that atoms trapped in micro-cavities that interact via exchange of virtual photons can model an anisotropic Heisenberg spin-1/2 chain in an external magnetic field. All parameters of the effective Hamiltonian can individually be…