Related papers: Simulating electric field interactions with polar …
Hybrid particle-field methods are computationally efficient approaches for modelling soft matter systems. So far applications of these methodologies have been limited to constant volume conditions. Here, we reformulate particle-field…
Spin manipulation in coupled quantum dots is of interest for quantum information applications. Control of the exchange interaction between electrons and holes via an applied electric field may provide a promising technique for such spin…
We present the results of the application of a nuclear potential consisting of two- and three-nucleon contact interactions in nuclear structure investigations. The nuclear Hamiltonian has been derived for a very low-energy regime within the…
Being ubiquitous, solitons have particle-like properties, exhibiting behaviour often associated with atoms. Bound solitons emulate dynamics of molecules, though solitonic analogues of polymeric materials have not been considered yet. Here…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
Classical spin models with discrete or continuous degrees of freedom arise in many studies of complex physical systems. A wide class of hard real-life optimisation problems can be formulated as a minimisation of a spin Hamiltonian. Here we…
In this manuscript we present a theoretical framework and its numerical implementation to simulate the out-of-equilibrium electron dynamics induced by the interaction of ultrashort laser pulses in condensed-matter systems. Our approach is…
We propose a general protocol for on-demand generation of robust entangled states of nuclear and/or electron spins of ultracold $^1\Sigma$ and $^2\Sigma$ polar molecules using electric dipolar interactions. By encoding a spin-1/2 degree of…
Spectroscopic techniques based on core-level excitations provide powerful tools for probing molecular and electronic structures with high spatial resolution. However, accurately calculating spectral features at the L or M edges is…
We predict that pairs of polar molecules can be weakly bound together in an ultracold environment, provided that a dc electric field is present. The field that links the molecules together also strongly influences the basic properties of…
The quality of biomolecular simulations critically depends on the accuracy of the force field used to calculate the potential energy of the molecular configurations. Currently, most simulations employ non-polarisable force fields, which…
We describe a method for cooling neutral molecules that have magnetic and electric dipole moments using collisions with cold ions. An external magnetic field is used to split the ground rovibrational energy levels of the molecule. The…
We present a theoretical study of the impact of an electrostatic field combined with nonresonant linearly polarized laser pulses on the rotational dynamics of a thermal ensemble of linear molecules. We solve the time-dependent Schr\"odinger…
Quantum electrodynamics in strong background fields provides an interesting class of problems for classical and quantum simulation. In this paper we formulate simulations of polarization (helicity) flip for a photon colliding with a…
We present a theory for rigorous quantum scattering calculations of probabilities for chemical reactions of atoms with diatomic molecules in the presence of an external electric field. The approach is based on the fully uncoupled basis set…
Reaching high densities is a key step towards cold-collision experiments with polyatomic molecules. We use a cryofuge to load up to 2$\times10^7$ CH$_3$F molecules into a box-like electric trap, achieving densities up to 10$^7$/cm$^3$ at…
Strong magnetic fields have a large impact on the dynamics of molecules. In addition to the changes of the electronic structure, the nuclei are exposed to the Lorentz force with the magnetic field being screened by the electrons. In this…
We present an analytic model of thermal state-to-state rotationally inelastic collisions of polar molecules in electric fields. The model is based on the Fraunhofer scattering of matter waves and requires Legendre moments characterizing the…
Exciton-polaritons - hybrid light-matter quasiparticles - can undergo Bose-Einstein-like condensation at elevated temperatures owing to their lower effective mass. This becomes even more pronounced in the context of molecular polariton…
We report on an extensive experimental study of intersubband excitations in the THz range arising from the coupling between a quantum well and a zero-dimensional metal-metal microcavities. Because of the conceptual simplicity of the…