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We extend our recent work on the cavity-modified spin Zeeman effect of an effective spin-1/2-system[J. Chem. Phys. 163, 174307 (2025)] to a relativistic Jahn-Teller scenario under strong light-matter coupling. Here, the effective…
In many cases, the relativistic spin-orbit (SO) interaction is regarded to be small and can be treated using perturbation theory. The major obstacle on this route comes from the fact that the SO interaction can also polarize the electron…
We present a quantum computational framework that systematically converts classical linear iterative algorithms with fixed iteration operators into their quantum counterparts using the Schr\"odingerization technique [Shi Jin, Nana Liu and…
We study a model of two-dimensional classical dimers on the square lattice with strong geometric constraints (there is exactly one bond with the nearest point for every point in the lattice). This model corresponds to the quantum dimer…
We study a new method - called Schrodingerisation introduced in [Jin, Liu, Yu, arXiv: 2212.13969] - for solving general linear partial differential equations with quantum simulation. This method converts linear partial differential…
We consider a $\mathcal{PT}$-symmetric chain (ladder-shaped) system governed by the discrete nonlinear Schr\"odinger equation where the cubic nonlinearity is carried solely by two central "rungs" of the ladder. Two branches of scattering…
Using the two dimensional $XY-(S(O(3))$ model as a test case, we show that analysis of the Fisher zeros of the canonical partition function can provide signatures of a transition in the Berezinskii-Kosterlitz-Thouless ($BKT$) universality…
Recently we have studied the Bloch effective Hamiltonian approach to bound states in 2+1 dimensional gauge theories. Numerical calculations were carried out to investigate the vanishing energy denominator problem. In this work we study…
In two recent papers, an isometric conformal transformation has been introduced that eliminates potential interaction terms from the Schr\"odinger equation for central potential problems. The method has been demonstrated for both the…
We present recent evolutions of the detailed opacity code SCO-RCG which combines statistical modelings of levels and lines with fine-structure calculations. The code now includes the Partially-Resolved-Transition-Array model, which allows…
The recently introduced coupled cluster (CC) downfolding techniques for reducing the dimensionality of quantum many-body problems recast the CC formalism in the form of the renormalization procedure allowing, for the construction of…
We develop a quantum algorithm for linear algebraic equations $ A\bb{x} = \bb{b} $ from the perspective of Schr\"odingerization-form problems, which are characterized by a system of linear convection equations in one higher dimension. When…
We present an efficient numerical approach for treating ballistic quantum transport across devices described by tight binding (TB) Hamiltonians designated to systems with localized potential defects. The method is based on the wave function…
We consider the low-energy particle-particle scattering properties in a periodic simple cubic crystal. In particular, we investigate the relation between the two-body scattering length and the energy shift experienced by the lowest-lying…
A universal family of Hamiltonians can be used to simulate any local Hamiltonian by encoding its full spectrum as the low-energy subspace of a Hamiltonian from the family. Many spin-lattice model Hamiltonians -- such as Heisenberg or XY…
The performance of computational methods for many-body physics and chemistry is strongly dependent on the choice of basis used to cast the problem; hence, the search for better bases and similarity transformations is important for progress…
We proposed a distributed approximating functional method for efficiently describing the electronic dynamics in atoms and molecules in the presence of the Coulomb singularities, using the kernel of a grid representation derived by using the…
A hyperbolic singularity in the wave-function of $s$-wave interacting atoms is the root problem for any accurate numerical simulation. Here we apply the transcorrelated method, whereby the wave-function singularity is explicitly described…
The solution of the hyperangular Schr\"odinger equation for few-body systems using a basis of explicitly correlated Gaussians remains numerically challenging. This is in part due to the number of basis functions needed as the system size…
Using unitary transformations, we express the Kondo lattice Hamiltonian in terms of fermionic operators that annihilate the ground state of the interacting system and that represent the best possible approximations to the actual charged…