Related papers: Atom-centered electric multipole moments dynamical…
Coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] has been extensively employed as the reference method in benchmarking different quantum chemistry methods. In this work, we test the accuracy of CCSD(T)…
We perform a global analysis of searches for the permanent electric dipole moments (EDMs) of the neutron, neutral atoms, and molecules in terms of six leptonic, semileptonic, and nonleptonic interactions involving photons, electrons, pions,…
We analyze the molecular electric dipole moments (PDMs) and static electric dipole polarizabilities of heteronuclear alkali dimers in their ground states by employing coupled-cluster theory, both in the non-relativistic and four-component…
The moments and moment products of conserved charges are believed to be sensitive to critical fluctuations, which have been adopted in determining the QCD critical point. Using a dynamical multiphase transport model, we reproduce the…
The overlapping stage of heavy-ion reactions can be simulated by dynamical microscopical models, such as those built on the basis of the Molecular Dynamics (MD) approaches, allowing to study the fragment formation process. The present…
We demonstrate explicitly that some recent calculations of atomic electric dipole moments (EDM) are incomplete. A contribution overlooked therein is pointed out. When included, it cancels exactly the result of those calculations, and thus…
We study an important contribution to the electric dipole moment (EDM) of the electron (or quarks) at the two-loop level due to the $W$-EDM in the recently proposed scenario of split supersymmetry. This contribution is independent of the…
The multipole moments of stationary axially symmetric vacuum or electrovacuum spacetimes can be expressed in terms of the power series expansion coefficients of the Ernst potential on the axis. In this paper we present a simpler, more…
The electromagnetic multipole moments of the open-flavor $Z_{\bar cq}$ states are investigated by assuming a diquark-antidiquark picture for their internal structure and quantum numbers $J^{PC} = 1^{+-}$ for their spin-parity. In…
Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations have been developed to simulate molecular systems, where an explicit description of changes in the electronic structure is necessary. However, QM/MM MD…
We summarize a series of numerical experiments of collisional dynamics in dense stellar systems such as globular clusters (GCs) and in weakly collisional plasmas using a novel simulation technique, the so-called Multi-particle collision…
Parity and time-reversal violating electric dipole moment (EDM) of $^{171}$Yb is calculated accounting for the electron correlation effects over the Dirac-Hartree-Fock (DHF) method in the relativistic Rayleigh-Schr\"odinger many-body…
Upper limits on the electric dipole moments (EDM) of elementary particles and atoms are presented, and their physical implications are discussed. The bounds following from the neutron and atomic experiments are comparable. In particular,…
Parity and time invariance violating ($P,T$-odd) atomic electric dipole moments (EDM) are induced by interaction between atomic electrons and nuclear $P,T$-odd moments which are produced by $P,T$-odd nuclear forces. The nuclear EDM is…
Discrete Element Methods (DEM), i.e.~the simulation of many rigid particles, suffer from very stiff differential equations plus multiscale challenges in space and time. The particles move smoothly through space until they interact almost…
Molecular simulations of the forced unfolding and refolding of biomolecules or molecular complexes allow to gain important kinetic, structural and thermodynamic information about the folding process and the underlying energy landscape. In…
Experimental searches for the electron electric dipole moment (EDM) probe new physics beyond the Standard Model. The current best EDM limit was set by the ACME Collaboration [Science \textbf{343}, 269 (2014)], constraining time reversal…
Accurately modeling chemical reactions at the atomistic level requires high-level electronic structure theory due to the presence of unpaired electrons and the need to properly describe bond breaking and making energetics. Commonly used…
Nuclei with an octupole deformation have a non-zero electric octupole moment, electric dipole moment (EDM), Schiff moment and magnetic quadrupole moment (MQM) in the intrinsic frame which rotates with the nucleus. In a state with definite…
Atomistic-continuum multiscale modelling is becoming an increasingly popular tool for simulating the behaviour of materials due to its computational efficiency and reliable accuracy. In the case of ferromagnetic materials, the atomistic…