We report a novel approach for determining the sign of permanent dipole moments, using nitric oxide [NO(v=0)] as an example. State-selected NO (j=|m|=|Omega=1/2) molecules are focused using a hexapole and oriented in a strong dc electric field. The angular distributions of ionic fragments resulting from extreme ultraviolet single-photon and multiphoton dissociative ionization at 400 and 800 nm ...

We discuss the form of the amplitude for gauge boson pair production at or near threshold.We show that in the case of W-pair production at LEP2 near threshold only one anomalous electromagnetic coupling can contribute. This anomalous coupling is CP violating and contributes to the electric dipole moment of the W. Since this coupling is likely to be small, it is important to look for ZZγ couplin...

A one-dimensional local bend model is used to describe the variation of electronic properties of acetylene in vibrational levels that embody large amplitude local motions on the S0 potential energy surface. Calculations performed at the CCSD(T) and MR-AQCC levels of theory predict an approximately linear dependence of the dipole moment on the number of quanta in either the local bending or loca...

Heavy polar molecules can be used to measure the electric dipole moment of the electron, which is a sensitive probe of physics beyond the Standard Model. The value is determined by measuring the precession of the molecule's spin in a plane perpendicular to an applied electric field. The longer this precession evolves coherently, the higher the precision of the measurement. For molecules in a tr...

Newly available, powerful infrared laser sources enable the preparation of intense molecular beams of quantum-state prepared and aligned molecules for gas/surface reaction dynamics experiments. We present a stereodynamics study of the chemisorption of vibrationally excited methane on the (100) surface of nickel. Using linearly polarized infrared excitation of the C-H stretch modes of two methan...

In this article, we present the extension of the exchange-hole dipole moment model (XDM) of dispersion interactions to the calculation of two-body and three-body dispersion energy terms to any order, 2(l)-pole oscillator strengths, and polarizabilities. By using the newly-formulated coefficients, we study the relative importance of the higher-order two-body and the leading non-additive three-bo...

Bonding and anti-bonding modes of plasmon coupling effects are numerically investigated in TiO2-Ag core-shell nano dimers. First, splitting phenomena of the coupled anti-bonding modes are observed under the longitudinal polarization when the distance between the monomers decreases to a certain level. Second, one of the split resonance modes is identified to be formed by the dipole anti-bonding ...

The absorption spectra and excited state dipole moments of four differently substituted fulvenes have been investigated both experimentally and computationally. The results reveal that the excited state dipole moment of fulvenes reverses in the first excited singlet state when compared to the ground state. The oppositely polarized electron density distributions, which dominate the ground state ...

Todd Karin, ∗ Xiayu Linpeng, ∗ M.M. Glazov, M.V. Durnev, E.L. Ivchenko, Sarah Harvey, Ashish K. Rai, Arne Ludwig, Andreas D. Wieck, and Kai-Mei C. Fu 4 Department of Physics, University of Washington, Seattle, Washington 98195, USA Ioffe Institute, 194021 St.-Petersburg, Russia Lehrstuhl für Angewandte Festkörperphysik, Ruhr-Universität Bochum, D-44870 Bochum, Germany Department of Electrical E...

In this work, we perform a set of quantum mechanical calculations on compounds bromoxynil and its derivatives. Various properties entropy, dipole moment, energy, IR spectra studied by using DFT method in Gaussian calculations. The solubility and inhibition power of these compounds compared with each other. IR frequencies compared with experimental values.