We show that the interaction of an axion field, or in general a pseudoscalar field, with the axial-vector current generated by an electron through a derivative-type coupling can give rise to a time-dependent mixing of opposite-parity states in atomic and molecular systems. Likewise, the analogous interaction of an axion field with the axial-vector current generated by a nucleon can give rise to time-dependent mixing of opposite-parity states in nuclear systems. This mixing can induce oscillating electric dipole moments, oscillating parity nonconservation effects and oscillating anapole moments in such systems. By adjusting the energy separation between the opposite-parity states of interest to match the axion mass energy, axion-induced experimental observables can be enhanced by many orders of magnitude. Oscillating atomic electric dipole moments can also be generated by axions through hadronic mechanisms, namely the P,T-violating nucleon-nucleon interaction and through the axion-induced electric dipole moments of valence nucleons, which comprise the nuclei. The axion field is modified by Earth's gravitational field. The interaction of the spin of either an electron or nucleon with this modified axion field leads to axion-induced observable effects. These effects, which are of the form $\mathbf{g}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbf{\ensuremath{\sigma}}$, differ from the axion-wind effect, which has the form ${\mathbf{p}}_{\mathrm{a}}\ifmmode\cdot\else\textperiodcentered\fi{}\mathbf{\ensuremath{\sigma}}$.

Axion-induced effects in atoms, molecules, and nuclei: Parity nonconservation, anapole moments, electric dipole moments, and spin-gravity and spin-axion momentum couplings

The first hundred attoseconds of the electron dynamics during strong field tunneling ionization are investigated. We quantify theoretically how the electron's classical trajectories in the continuum emerge from the tunneling process and test the results with those achieved in parallel from attoclock measurements. An especially high sensitivity on the tunneling barrier is accomplished here by comparing the momentum distributions of two atomic species of slightly deviating atomic potentials (argon and krypton) being ionized under absolutely identical conditions with near-infrared laser pulses (1300 nm). The agreement between experiment and theory provides clear evidence for a nonzero tunneling time delay and a nonvanishing longitudinal momentum of the electron at the ``tunnel exit.''

Experimental Evidence for Quantum Tunneling Time.

Impact of solution composition on the resistance of ion exchange membranes

The F(δ-)···F(δ-) intermolecular synthon was recently observed to be useful for generating a two-dimensional layered supramolecular architecture on the Ag(111) surface (Kawai, et al., ACS Nano, 2015). This was formed when the entirely negative covalently bonded fluorine atoms in phenyleneethynylene(bis(2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenylethynyl)phenyl)-ethyne (BPEPE-F18)) were in close proximity to the same atoms in another BPEPE-F18 molecule. With a view to provide rigorous insights into the physical chemistry of such an intermolecular synthon, we have selected perfluorobenzene (C6F6) as a model compound, and have performed extensive DFT-M06-2X/6-311++G(d,p) investigations on a number of its homomolecular dimers, trimers, and tetramers. Of the twelve (C6F6)2 dimers investigated, a displaced-parallel arrangement with an uncorrected binding energy (ΔE) of -7.4 kcal mol(-1) was found to be the most stable, and an incorporation of the basis set superposition error (BSSE) has significantly reduced its ΔE to -4.7 kcal mol(-1). Besides, the ΔE for a minimum-energy least stable conformation of the same dimer, which involves a single σhole(-)···σhole(-) type F(δ-)···F(δ-) intermolecular bonding interaction, amounts to -0.62 and -0.24 kcal mol(-1) without and with BSSE, respectively. The geometry of another conformation of the dimer, which accompanies a set of three F(δ-)···F(δ-) intermolecular interactions somehow similarly to those observed in the layered supramolecular structure formed by the BPEPE-F18 molecules, lies at a relative energy of 6.5 kcal mol(-1) above the most stable conformation. Passing from the latter dimer to an analogous (C6F6)3 trimer, as well as from the trimer to an analogous (C6F6)4 tetramer, the latter two clusters comprising windmill-type F(δ-)···F(δ-) intermolecular topologies, we have marked a preferential increase in the value of ΔE from -0.94 (dimer) to -2.76 (trimer) to -4.49 kcal mol(-1) (tetramer), thereby suggesting the presence of cooperative binding. An energy decomposition analysis has revealed that dispersion and polarization are the principal driving forces that bring the C6F6 molecules together in complex configurations. While a reasonable agreement was found between the charge density based topological results of the intermolecular bonding interactions that emerged from the application of Quantum Theory of Atoms in Molecules (QTAIM) and Reduced Density Gradient approaches to all the polymeric compounds, the results of the latter method were found to be too vague especially near the (3, +1) ring critical point regions. QTAIM's source function analysis has suggested that the fully negatively charged fluorine atoms in C6F6 serve as sinks for the F(δ-)···F(δ-) bond formation.

Unusual bonding modes of perfluorobenzene in its polymeric (dimeric, trimeric and tetrameric) forms: entirely negative fluorine interacting cooperatively with entirely negative fluorine

An accurate potential energy curve has been derived for the xenon dimer using state-of-the-art relativistic coupled-cluster theory up to quadruple excitations accounting for both basis set superposition and incompleteness errors. The data obtained is fitted to a computationally efficient extended Lennard-Jones potential form and to a modified Tang–Toennies potential function treating the short- and long-range part separately. The vibrational spectrum of Xe2 obtained from a numerical solution of the rovibrational Schrodinger equation and subsequently derived spectroscopic constants are in excellent agreement with experimental values. We further present solid-state calculations for xenon using a static many-body expansion up to fourth-order in the xenon interaction potential including dynamic effects within the Einstein approximation. Again we find very good agreement with the experimental (face-centred cubic) lattice constant and cohesive energy.

A relativistic coupled-cluster interaction potential and rovibrational constants for the xenon dimer

state can be found in the reference given). Abbreviations: exp.: experimentally determined value (set in bold letters); NR: nonrelativistic; R: Relativistic, DK: Scalar relativistic Douglas-Kroll; MVD: mass-velocity-Darwin; SO: Spin-orbit coupled; PP: relativistic pseudopotential; LDA: local (spin) density approximation; PW91: Perdew-Wang 91 functional; MBPT: many-body perturbation theory; CI: configuration interaction; CCSD(T): coupled cluster singles doubles (SD) with perturbative triples; CEPA: coupled electron pair approximation; MR: multi-reference; CAS: complete active space; VPA: variational perturbation approach [1]. For all other abbreviations see text or references. If the symmetry of the state is not clearly specified as in Doolen’s calculations, the calculation was most likely set at the specific configuration (orbital occupancy) as listed in the Desclaux tables [2], reflecting the ground state symmetry of the specific atom.

Table of experimental and calculated static dipole polarizabilities for the electronic ground states of the neutral elements (in atomic units)

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Table of experimental and calculated static dipole polarizabilities for the electronic ground states of the neutral elements (in atomic units)