Related papers: Symmetrized Drude Oscillator Force Fields Improve …
We revisit the topic of a dipolar condensate with the recently derived more rigorous pseudo-potential for dipole-dipole interaction [A. Derevianko, Phys. Rev. A {\bf 67}, 033607 (2003)]. Based on the highly successful variational technique,…
We present an accelerated ``on-the-fly'' coupled-cluster path-integral molecular dynamics (PIMD) method for finite-temperature simulations in which electron correlation and nuclear quantum effects are treated simultaneously. The approach is…
Alpha($^{4}$He)-cluster models have often been used to describe light nuclei. Towards the application to multi-cluster systems involving heavy clusters, we study the relative wave functions of the $\alpha+^{16}$O and $\alpha+^{40}$Ca…
For one-dimensional systems with delta-contact interactions, the convergence of the exact-diagonalization method is tested with a basis of harmonic oscillator eigenfunctions with frequency $\Omega$ optimized through the minimization of the…
To exclude collisions leading to the overlap of finite-sized charged particles in molecular dynamics (MD) simulations in systems like complex (dusty) plasmas, we developed a scheme to generate a pair interaction force functionally depending…
Polarisable atoms and molecules experience the Casimir-Polder force near magnetoelectric bodies, a force that is induced by quantum fluctuations of the electromagnetic field and the matter. Atoms and molecules in relative motion to a…
We investigate the stability and softness of nuclei against quadrupole, octupole, and hexadecapole deformation. By applying the spherical Skyrme-force Hartree-Fock Bardeen-Cooper-Schrieffer quasi-particle random phase approximation, we…
We study the nonlinear Schr$\ddot{o}$dinger equation with a PT-symmetric potential. Using a hydrodynamic formulation and connecting the phase gradient to the field amplitude, allows for a reduction of the model to a Duffing or a generalized…
Electronic structure methods offer in principle accurate predictions of molecular properties, however, their applicability is limited by computational costs. Empirical methods are cheaper, but come with inherent approximations and are…
We consider the practical feasibility of using the direct, electric dipole-dipole interaction between co-trapped molecular ions for robust quantum logic without the need for static polarizing fields. The use of oscillating dipole moments,…
Coupled electron-nuclear spins represent a promising quantum system, where the optically induced electron spin polarization can be dynamically transferred to nuclear spins via the hyperfine interaction. Most experiments on dynamic nuclear…
A wide range of physical and biological systems, including colloidal magnets, granular spinners, and starfish embryos, are characterized by strongly rotating units that give rise to odd viscosity and odd elasticity. These active systems can…
When applying an oscillatory electric potential to an electrolyte solution, it is commonly assumed that the choice of which electrode is grounded or powered does not matter because the time-average of the electric potential is zero. Recent…
Under specific conditions, a rotating saddle potential can confine the motion of a particle on its surface. This time-varying hyperbolic potential shares key characteristics with the RF electric quadrupole ion trap (RF Paul trap), making it…
Methodologies for creating reactive potential energy surfaces from molecular mechanics force-fields are becoming increasingly popular. To date, molecular mechanics force-fields use harmonic expressions to treat bonding stretches, which is a…
The mixed-field orientation of an asymmetric-rotor molecule with its permanent dipole moment non-parallel to the principal axes of polarizability is investigated experimentally and theoretically. We find that for the typical case of a…
The structure and stability of atomic and molecular systems with van der Waals (vdW) bonding are often determined by the interplay between attractive dispersion interactions and repulsive interactions caused by electron confinement. Arising…
Trapped Rydberg atoms are highly promising candidates for quantum science experiments. While several approaches have been put forward to exert (trapping) forces on isolated Rydberg atoms, a widely applicable lossless technique is lacking.…
Particles and fields are standard components in numerical simulations like transport simulations in nuclear physics and have very well understood dynamics. Still, a common problem is the interaction between particles and fields due to their…
Low-frequency oscillations are an inherent phenomena in transmission networks and renewable energy plants should be configured to damp them. Commonly, a centralised controller is used in PV plants to coordinate PV generators via…