Related papers: On the crystal field in the modern solid-state the…
We present an ab initio correlated approach to study molecules that interact strongly with quantum fields in an optical cavity. Quantum electrodynamics coupled cluster theory provides a non-perturbative description of cavity-induced effects…
Ultracold atoms can be used to perform quantum simulations of a variety of condensed matter systems, including spin systems. These progresses point to the implementation of the manipulation of quantum states and to observe and exploit the…
Rapid separation of linear crystals of trapped ions into different subsets is critical for realizing trapped ion quantum computing architectures where ions are rearranged in trap arrays to achieve all-to-all connectivity between qubits. We…
This review presents a concise, yet comprehensive discussion on the evolution of theoretical methods employed to determine the ground and excited states of molecules in weak and strong magnetic fields. The weak-field cases have been studied…
In pursuit of a colloidal analogue to quantum density functional theory (DFT) predictions of atomic crystal structures, we report a new, classical DFT that predicts the relative thermodynamic stability of colloidal crystals of hard, convex…
The delafossite family of compounds with a triangular lattice of rare earth ions has been recently proposed as a candidate host for quantum spin liquid (QSL) states. To realize QSLs, the crystal-electric-field (CEF) ground state of the rare…
A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical…
We have succeeded in synthesizing of single crystals of a new intermetallic compound, Ce$_{3}$Rh$_{4}$Pb$_{13}$. Magnetic susceptibility measurements indicate that the Ce moments are highly localized, despite the metallic character of the…
Sr3(Ru1-xMnx)2O7, in which 4d-Ru is substituted by the more localized 3d-Mn, is studied by x-ray dichroism and spin-resolved density functional theory. We find that Mn impurities do not exhibit the same 4+ valence of Ru, but act as 3+…
The stability of high vs. low spin states of transition metal complexes has been interpreted by ligand field theory, which is a perturbation theory of the electron-electron interaction. The present first principles calculation of a series…
We have studied the electronic structure of BaCoO$_3$ using soft x-ray absorption spectroscopy at the Co-$L_{2,3}$ and O-$K$ edges, magnetic circular dichroism at the Co-$L_{2,3}$ edges, as well as valence band hard x-ray photoelectron…
We present a study of the paramagnetic metallic and insulating phases of vanadium sesquioxide by means of the $N$th order muffin-tin orbital implementation of density functional theory combined with dynamical mean-field theory. The…
We study theoretically the electronic states in a $5d$ transition metal oxide Na$_2$IrO$_3$, in which both the spin-orbit interaction and the electron correlation play crucial roles. Tight-binding model analysis together with the…
The interplay of crystal electric field, temperature, and spin-orbit coupling can yield a Kramers ion and thus an effective S = 1/2 ground state for Co2+ ions (3d7), which is often the case for low dimensional materials. This is because a…
We present an effective field theory formulation for a class of condensed matter systems with crystalline structures for which some of the discrete symmetries of the underlying crystal survive the long distance limit, up to mesoscopic…
It has been shown that for the highly-correlated d4 electronic system the spin-orbit interactions produce, even in case of the cubic crystal-field interactions, a singlet ground state. Its magnetic moment grows rapidly with the applied…
Computational crystal-field models have provided consistent models of both electronic and Zeeman-hyperfine structure for several rare earth ions. These techniques have not yet been applied to the Zeeman-hyperfine structure of Eu$^{3+}$…
A quantum field theoretic formulation of the dynamics of the Contact Process on a regular graph of degree z is introduced. A perturbative calculation in powers of 1/z of the effective potential for the density of particles phi(t) and an…
We introduce an effective field theory for the vicinity of a zero temperature quantum transition between a metallic spin glass (``spin density glass'') and a metallic quantum paramagnet. Following a mean field analysis, we perform a…
Entanglement of spin and orbital degrees of freedom drives the formation of novel quantum and topological physical states. Discovering new spin-orbit entangled ground states and emergent phases of matter requires both experimentally probing…