Related papers: Phaseless auxiliary-field quantum Monte Carlo meth…
We show that spin-orbit coupling (SOC) in InSe enables the optical transition across the principal band gap to couple with in-plane polarized light. This transition, enabled by $p_{x,y}\leftrightarrow p_z$ hybridization due to intra-atomic…
Effective spin mixing conductance (ESMC) across the nonmagnetic metal (NM)/ferromagnet interface, spin Hall conductivity (SHC) and spin diffusion length (SDL) in the NM layer govern the functionality and performance of pure spin current…
FePS3 is a layered van der Waals (vdW) Ising antiferromagnet that has recently been studied in the context of true 2D magnetism, and emerged as an ideal material platform for investigating strong spin-phonon coupling, and non-linear…
A continuous time cluster algorithm for two-level systems coupled to a dissipative bosonic bath is presented and applied to the sub-ohmic spin-Boson model. When the power s of the spectral function J(w) \propto w^s is smaller than 1/2, the…
The time dependent quantum Monte Carlo method for fermions is introduced and applied for calculation of entanglement of electrons in one-dimensional quantum dots with several spin-polarized and spin-compensated electron configurations. The…
We introduce an efficient and numerically stable technique to make use of a BCS trial wave function in the computation of correlation functions of strongly correlated quantum fermion systems. The technique is applicable to any projection…
We describe the treatment of Rashba spin-orbit coupling (SOC) in interacting many-fermion systems within the auxiliary-field quantum Monte Carlo framework, and present a set of illustrative results. These include numerically exact…
We present exact solutions of two-body problem for spin-1/2 fermions with isotropic spin-orbit(SO) coupling and interacting with an arbitrary short-range potential. We find that in each partial-wave scattering channel, the parametrization…
Spin-orbit coupling (SOC) plays an essential role in many exotic and interesting phenomena in condensed matter physics. In neutral-atom-based quantum simulations, synthetic SOC constitutes a key enabling element. The strength of SOC…
The influence of acceleration and rotation on spintronic applications is theoretically investigated. In our formulation, considering a Dirac particle in a non-inertial frame, different spin related aspects are studied. The spin current…
We present a quantum Monte Carlo study of the quantum correlations in the parametric luminescence from semiconductor microcavities in the strong exciton-photon coupling regime. As already demonstrated in recent experiments, a ring-shaped…
The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initio ground state energies for multiple geometries of the H$_{2}$O, N$_2$, and F$_2$ molecules. The method is based on Feynman's path…
Understanding unconventional superconductivity (SC) driven by strong electronic correlations is a central challenge in condensed matter physics. In this work, we employ sign-problem-free quantum Monte Carlo (QMC) simulations to…
Spin-orbit coupling (SOC) is a fundamental interaction in solids which can induce a broad spectrum of unusual physical properties from topologically non-trivial insulating states to unconventional pairing in superconductors. In iron-based…
We extend the scope of full configuration interaction quantum Monte Carlo (FCIQMC) to be applied to coupled fermion-boson hamiltonians, alleviating the a priori truncation in boson occupation which is necessary for many other wave function…
The collisional interaction in a Bose condensate represents a non-linearity which in analogy with non-linear optics gives rise to unique quantum features. In this paper we apply a Monte Carlo method based on the positive P…
It has recently been shown that the SOiCI approach [J. Phys.: Condens. Matter 34 (2022) 224007], in conjunction with the spin-separated exact two-component relativistic Hamiltonian, can provide very accurate fine structures of systems…
We have investigated the mechanism of stabilizing the simple-cubic (SC) structure in polonium (alpha- Po), based on the phonon dispersion calculations using the first-principles all-electron band method. We have demonstrated that the stable…
The energy gap between the lowest-lying singlet and triplet states is an important quantity in chemical photocatalysis, with relevant applications ranging from triplet fusion in optical upconversion to the design of organic light-emitting…
The projective quantum Monte Carlo (PQMC) algorithms are among the most powerful computational techniques to simulate the ground state properties of quantum many-body systems. However, they are efficient only if a sufficiently accurate…