Related papers: QED-SCF, MCSCF and Coupled-cluster Methods in Quan…
We present the first calculation of quantum electrodynamics (QED) nuclear medium effects under the experimental conditions of future Electron-Ion Collider (EIC) experiments. Our work offers numerical estimates, particularly in the context…
Quantum algorithms based on classical processing of individual samples have recently emerged as the most effective and robust methods to approximate ground-state wave functions of many-body quantum systems on pre-fault-tolerant and…
In this review we present the theoretical foundations and first principles frameworks to describe quantum matter within quantum electrodynamics (QED) in the low-energy regime. Having a rigorous and fully quantized description of interacting…
One of the primary challenges in quantum chemistry is the accurate modeling of strong electron correlation. While multireference methods effectively capture such correlation, their steep scaling with system size prohibits their application…
The developments of quantum computing algorithms and experiments for atomic scale simulations have largely focused on quantum chemistry for molecules, while their application in condensed matter systems is scarcely explored. Here we present…
Unitary Coupled Cluster (UCC) theory is a promising variational method for electronic structure calculations, especially for strongly correlated systems and quantum computers. However, its practical application is limited by the steep…
Nuclear many-body systems, ranging from nuclei to neutron stars, are some of the most interesting physical phenomena in our universe, and Quantum Monte Carlo (QMC) approaches are among the most accurate many-body methods currently available…
Ab initio calculations of cadmium chalcogenide nanoclusters with terminating groups (H, O, N, and C atoms bound to the surface sulfur) are considered as a simulation for the species produced in typical synthesis of bio-conjugates with…
A new approach is described to the evaluation of the S-matrix in three-dimensional atom-diatom reactive quantum scattering theory. The theory is developed based on natural collision coordinates where progress along the reaction coordinate…
Many-body cavity QED experiments are established platforms to tailor and control the collective responses of ensembles of atoms, interacting through one or more common photonic modes. The rich diversity of dynamical phases they can host,…
We investigate the classical and quantum properties of a system of $SU(N)$ non-Abelian Chern-Simons (NACS) particles. After a brief introduction to the subject of NACS particles, we first discuss about the symplectic structure of various…
Coupling of atoms is the basis of chemistry, yielding the beauty and richness of molecules. We utilize semiconductor nanocrystals as artificial atoms to form nanocrystal molecules that are structurally and electronically coupled. CdSe/CdS…
The ground X1{\Sigma}+ state potential energy curve (PEC) and dipole moment curve (DMC) of CO molecule have been revisited within the framework of the relativistic coupled-cluster approach, which incorporates non-perturbative single,…
Perturbative approaches are methods to efficiently tackle many-body problems, offering both intuitive insights and analysis of correlation effects. However, their application to systems where light and matter are strongly coupled is…
During the past decades, the numerical methods based on Navier-Stokes (N-S) equations and direct simulation Monte Carlo (DSMC) methods have been proved effective in simulating flows in the continuum and rarefied regimes, respectively.…
We propose a method to get experimental access to the physics of the ultrastrong (USC) and deep strong (DSC) coupling regimes of light-matter interaction through the quantum simulation of their dynamics in standard circuit QED. The method…
The unitary coupled cluster (UCC) algorithm is one of the most promising implementations of the variational quantum eigensolver for quantum computers. However, for large systems, the number of UCC factors leads to deep quantum circuits,…
Flow equations method of continuous unitary transformations is used to eliminate the minimal quark-gluon interaction in the light-front quantized QCD Hamiltonian. The coupled differential equations in the two lowest Fock sectors correspond…
Quasicentroid molecular dynamics (QCMD) is a path-integral method for approximating nuclear quantum effects in dynamics simulations, which has given promising results for gas- and condensed-phase water. Here, by simulating the infrared…
We introduce an extension to the PySCF package which makes it automatically differentiable. The implementation strategy is discussed, and example applications are presented to demonstrate the automatic differentiation framework for quantum…