Related papers: Long range forces between polar alkali diatoms ali…
Recent experiments on ultracold non-reactive dipolar molecules have observed high two-body losses, even though these molecules can undergo neither inelastic, nor reactive (as they are in their absolute ground state), nor light-assisted…
Electrostatics in the solution phase is governed by free electrical charges such as ions, as well as by bound charges that arise when a polarizable medium responds to an applied field. In a local medium, described by a constant dielectric…
We give a general thermodynamic analyzis of the behaviour of the chemical potential of electrons in metals at a second order phase transition, including in our analysis the effect of long range Coulomb forces. It is shown, that this…
We have developed a Fock-space relativistic coupled-cluster theory based method for the calculation of electric dipole polarizability of one-valence atoms and ions. We employ this method to compute the ground-state and spin-orbit coupled…
Permanent electric dipole moments (EDMs) of fundamental particles such as the electron are signatures of parity and time-reversal violation due to physics beyond the standard model. EDM measurements probe new physics at energy scales well…
The properties of the electronic ground state of the polar and paramagnetic europium-$S$-state-atom molecules have been investigated. Ab initio techniques have been applied to compute the potential energy curves for the…
A novel energy minimization formulation of electrostatics that allows computation of the electrostatic energy and forces to any desired accuracy in a system with arbitrary dielectric properties is presented. An integral equation for the…
A simple formula is obtained for coupling electrons in a complex system to the electromagnetic field. It includes the effect of intra-atomic excitations and nuclear motion, and can be applied in. e.g., first-principles-based simulations of…
We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…
The collective excitations of solids are classified as longitudinal and transverse depending on their relative polarization and propagation direction. This seemingly formal classification results in surprisingly distinct types of…
Ab initio calculation of dielectric response with high-accuracy electronic structure methods is a long-standing problem, for which mean-field approaches are widely used and electron correlations are mostly treated via approximated…
Starting from the random phase approximation for the weakly coupled multiband tightly-bounded electron systems, we calculate the dielectric matrix in terms of intraband and interband transitions. The advantages of this representation with…
Intense electrostatic fields, such as those able to break bonds and cause field-ion emission, can fundamentally alter the behaviour of atoms at and on the surface. Using density functional theory (DFT) calculations on the Li (110) surface…
We use the perturbed relativistic coupled-cluster theory to compute the static electric dipole polarizabilities of the singly ionized alkali atoms, namely, Na$^+$, $^+$, Rb$^+$, Cs$^+$ and Fr$^+$. The computations use the…
We show that certain CP-odd momentum correlations in the production and subsequent decay of tau pairs in $e^+e^-$ collisions get enhanced when the electron beam is longitudinally polarized. Analytic expressions for these correlations are…
We present an implementation of the fast multipole method for computing coulombic electrostatic and polarization forces from polarizable force-fields based on induced point dipole moments. We demonstrate the expected $O(N)$ scaling of that…
We study the effects of a static electric field on the photoassociation of a heteronuclear atom-pair into a polar molecule. The interaction of permanent dipole moment with a static electric field largely affects the ground state continuum…
Photoelectron Angular Distributions (PADs) resulting from 800 nm and 1300 nm strong field ionization of impulsively aligned CF$_3$I molecules were analyzed using time-dependent density functional theory (TDDFT). The normalized difference…
The long-range interaction between two atoms and the long-range interaction between an ion and an electron are compared at small and large intersystem separations. The vacuum dressed atom formalism is applied and found to provide a…
We discuss techniques to engineer effective long-range interactions between polar molecules using external static electric and microwave fields. We consider a setup where molecules are trapped in a two-dimensional pancake geometry by a…