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We present a scalable single-particle framework to treat electronic correlation in molecules and materials motivated by Green's function theory. We derive a size-extensive Brillouin-Wigner perturbation theory from the single-particle…
We present an efficient implementation of the low-cost linear-response coupled-cluster singles and doubles (LR-CCSD) method for computing static and frequency-dependent polarizabilities in systems with significant relativistic and…
Spin relaxation and decoherence is at the heart of spintronics and spin-based quantum information science. Currently, theoretical approaches that can accurately predict spin relaxation of general solids including necessary scattering…
We provide a mathematical analysis of the effective viscosity of suspensions of spherical particles in a Stokes flow, at low solid volume fraction $\phi$. Our objective is to go beyond the Einstein's approximation…
It is known that two-dimensional two-component fundamental solitons of the semi-vortex (SV) type, with vorticities $(s_{+},s_{-})=(0,1)$ in their components, are stable ground states (GSs) in the spin-orbit-coupled (SOC) binary…
Currently under active study in condensed matter physics, both theoretically and experimentally, are quantum spin liquid (QSL) states, in which no long-range magnetic ordering appears at low temperatures due to strong quantum fluctuations…
It is proposed that a lattice, with constituent masses and spring constants, may be considered as a model system for topological matter. For instance, a relative variation of the inter- and intra-unit cell spring constants can be used to…
The spin excitations from the nonmagnetic charge-ordered insulating state of $\alpha$-(BEDT-TTF)$_2$I$_3$ at ambient pressure have been investigated by probing the static and low-frequency dynamic spin susceptibilities via site-selective…
The calculation of the MP2 correlation energy for extended systems can be viewed as a multi-dimensional integral in the thermodynamic limit, and the standard method for evaluating the MP2 energy can be viewed as a trapezoidal quadrature…
We model Auger spectra using second-order M\o ller-Plesset perturbation (MP2) theory combined with complex-scaled basis functions. For this purpose, we decompose the complex MP2 energy of the core-hole state into contributions from specific…
We study the resonance fluorescence properties of an optically active spin 1/2 system, elucidating the effects of a magnetic field on the coherence of the scattered light. We derive a master equation model for this system that reproduces…
The spin-$1/2$ $J_1-J_2$ Heisenberg model on the square lattice represents one of the simplest examples in which the effets of magnetic interactions may suppress magnetic order, eventually leading to a pure quantum phase with no local order…
In recent years, a new class of mixed finite elements -- compatible-strain mixed finite elements (CSMFEs) -- has emerged that uses the differential complex of nonlinear elasticity. Their excellent performance in benchmark problems, such as…
To elucidate the spin dynamics of La$_{2-x}$Sr$_x$CuO$_4$, which couples with the charge degree of freedom, the spin excitations spanning the characteristic energy ($E_{\rm cross}$ $\sim$35-40 meV) are investigated for underdoped $x$ = 0.10…
We review recent progress in understanding the different spatial broken symmetries that occur in the normal states of the family of charge-transfer solids (CTS) that exhibit superconductivity (SC), and discuss how this knowledge gives…
A family of molecular Mott insulators on triangular lattice provided a few S=1/2 triangular quantum spin liquid candidates, with $\kappa$-(BEDT-TTF)$_2$Cu$_2$(CN)$_3$ being the most studied material of this group. The large number…
Exploiting the spin-valley degree of freedom of electrons in materials is a promising avenue for energy-efficient information storage and quantum computing. A key challenge in utilizing spin-valley polarization is the realization of…
Unlike, momentum-dependent Rashba spin-splitting, materials exhibiting intrinsic momentum-independent unidirectional spin polarization also known as persistent spin texture (PST) in the full Brillouin zone are scarce. In this work, a list…
We study spin-scattering asymmetry at the interface of two ferromagnets (FMs) based on a half-metallic Co$_{2}$Fe$_{0.4}$Mn$_{0.6}$Si (CFMS)/CoFe interface. First-principles ballistic transport calculations based on Landauer formula for…
Spin-1/2 Heisenberg model on the Shastry-Sutherland lattice is considered within the many-body perturbation theory developed from the exactly solved spin-1/2 Ising-Heisenberg model with the Heisenberg intradimer and Ising interdimer…