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Studying experimental observables is a key benchmark for validating theoretical models in high energy physics. In this work, we employ the PACIAE 4.0 model to simulate non-single diffractive proton-proton ($pp$) collisions at center-of-mass…
We investigate the coupling of different quantum-embedding approaches with a third molecular-mechanics layer, which can be either polarizable or non-polarizable. In particular, such a coupling is discussed for the multilevel families of…
We review two important non-perturbative approaches for extracting the physics of low-dimensional strongly correlated quantum systems. Firstly, we start by providing a comprehensive review of non-Abelian bosonization. This includes an…
Structural correlations between colloids in a binary mixture of charged and uncharged spheres are calculated using computer simulations of the primitive model with explicit microions. For aqueous suspensions in a solvent of large dielectric…
A first-principles computational method with self-consistent on-site and inter-site Hubbard functionals is able to treat local and non-local Coulomb interactions on an equal footing. To apply the method to understand solids with strong…
The phase ordering kinetics of emergent orders in correlated electron systems is a fundamental topic in non-equilibrium physics, yet it remains largely unexplored. The intricate interplay between quasiparticles and emergent order-parameter…
Background: Models based on using perturbative polarization corrections and mean-field blocking approximation give conflicting results for masses of odd nuclei. Purpose: Systematically investigate the polarization and mean-field models,…
Charge-stabilized colloidal suspensions display a rich variety of microstructural and thermodynamic properties, which are determined by electro-steric interactions between all ionic species. The large size asymmetry between molecular-scale…
We present the quantum-selected configuration interaction-tailored coupled-cluster (QSCI-TCC) method, a hybrid quantum-classical scheme that tailors coupled-cluster (CC) theory with a quantum-selected configuration interaction (QSCI) wave…
We employ the closed-shell perturbed relativistic coupled-cluster (RCC) theory developed by us earlier [Phys. Rev. A {\bf 77}, 062516 (2008)] to evaluate the ground state static electric dipole polarizabilities (\alpha s) of several atomic…
The relative energies of different phases or polymorphs of molecular solids can be small, less than a kiloJoule/mol. Reliable description of such energy differences requires high quality treatment of electron correlations, typically beyond…
The growing interest in the dynamical properties of colloidal suspensions, both in equilibrium and under an external drive such as shear or pressure flow, requires the development of accurate methods to correctly include hydrodynamic…
Analytic versions of QCD are those whose coupling alpha_s(Q^2) does not have the unphysical Landau singularities on the space-like axis (-q^2=Q^2 > 0). The coupling is analytic in the entire complex plane except the time-like axis (Q^2 <…
We present a scattering model for nuclei with similar masses. In this three-body model, the projectile has a core+valence structure, whereas the target is identical to the core nucleus. The three-body wave functions must be symmetrized for…
The (T) and [T] perturbative corrections are derived for multicomponent coupled-cluster theory with single and double excitations (CCSD). Benchmarking shows that multicomponent CCSD methods that include the perturbative corrections are more…
For a simple model of mutually interacting qubits it is shown how the errors induced by mutual interactions can be eliminated using concatenated coding. The model is solved exactly for arbitrary interaction strength, for two well-known…
Introducing an active space approximation is inevitable for the quantum computations of chemical systems. However, this approximation ignores the electron correlations related to non-active orbitals. Here, we propose a computational method…
Molecular fragment or embedding methods are powerful techniques for overcoming scalability limitations in electronic structure theory by dividing large molecular systems into individual units that are small enough to be treated using…
The phase behavior of charge-stabilized colloidal suspensions is modeled by a combination of response theory for electrostatic interparticle interactions and variational theory for free energies. Integrating out degrees of freedom of the…
Contemporary deep clustering approaches often rely on either contrastive or non-contrastive techniques to acquire effective representations for clustering tasks. Contrastive methods leverage negative pairs to achieve homogenous…