Related papers: General spin models from noncollinear spin density…
We present a first-principles approach to describe magnetic and superconducting systems and the phenomena of competition between these electronic effects. We develop a density functional theory: SpinSCDFT, by extending the Hohenberg-Kohn…
We theoretically study spin-transfer torque (STT) in a graphene system with spin-orbit coupling (SOC). We consider a graphene-based junction where the spin-orbit coupled region is sandwiched between two ferromagnetic (F) segments. The…
We describe how the spin Hall effect (SHE) can be studied from ab-initio by combining density functional theory with the non-equilibrium Green's functions technique for quantum transport into the so-called DFT+NEGF method. After laying down…
We present a recursion relation for the explicit construction of integrable spin chain Hamiltonians with long-range interactions. Based on arbitrary short-range (e.g. nearest-neighbor) integrable spin chains, it allows to construct an…
Spin generalization of the relativistic Calogero-Sutherland model is constructed by using the affine Hecke algebra and shown to possess the quantum affine symmetry $\uqglt$. The spin-less model is exactly diagonalized by means of the…
The extended dynamical mean field theory has played an important role in the study of quantum phase transitions in heavy fermion systems. In order to incorporate the physics of unconventional superconductivity, we develop a cluster version…
We employed first-principles density-functional theory (DFT) calculations to characterize Dirac electrons in quasi-two-dimensional molecular conductor $\alpha$-(BETS)$_2$I$_3$ [= $\alpha$-(BEDT-TSeF)$_2$I$_3$] at a low temperature of 30K.…
We investigate the interplay between the Kondo effect and the ferromagnetism by an one dimension Anderson impurity model with a spin partially polarized bath, using the projective truncation approximation under Lacroix basis.The equal-time…
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…
Coarse-grained spin density functional theory (SDFT) is a version of SDFT which works with number/spin densities specified to a limited resolution --- averages over cells of a regular spatial partition --- and external potentials constant…
In the framework of soft-collinear effective theory (SCET), we show how to formulate the resummation for a broad family of final-state, global observables in high-energy collisions in a general way that is suitable for a numerical…
Equivariant atomistic machine learning models have largely been built on spherical-tensor representations, where explicit angular-momentum coupling introduces substantial complexity and systematic extensions beyond energies and forces…
We describe a stochastic series expansion (SSE) quantum Monte Carlo method for a two-dimensional S=1/2 XY-model (or, equivalently, hard-core bosons at half-filling) which in addition to the standard pair interaction J includes a…
The magnetic ground state of FeRh is highly sensitive towards the lattice constant. This, in addition to partially filled d-shells of Fe and Rh, posed a significant challenge for Density Functional Theory (DFT) calculations in the past.…
We implement a version of conformal field theory (CFT) that gives a connection to SLE in a multiply connected domain. Our approach is based on the Gaussian free field and applies to CFTs with central charge $c \leq 1$. In this framework we…
We derive constraints on the operator product expansion of two stress tensors in conformal field theories (CFTs), both generic and holographic. We point out that in large $N$ CFTs with a large gap to single-trace higher spin operators, the…
Selected configuration interaction (SCI) methods, when complemented with a second-order perturbative correction, provide near full configuration interaction (FCI) quality energies with only a small fraction of the Slater determinants of the…
The electron spin g- and hyperfine tensors of the endohedral metallofullerene Sc@C82 are anisotropic. Using electron spin resonance (ESR) and density functional theory (DFT), we can relate their principal axes to the coordinate frame of the…
Spin-transfer torque (STT) effects on the stationary forced response of nanoscale ferromagnets subject to thermal fluctuations and driven by an ac magnetic field of arbitrary strength and direction are investigated via a generic nanopillar…
Progress towards the energy breakthroughs needed to combat climate change can be significantly accelerated through the efficient simulation of atomic systems. Simulation techniques based on first principles, such as Density Functional…