Molecular CP-violating magnetic moment

A concept of CP-violating (T,P-odd) permanent molecular magnetic moments $\mu^{CP}$ is introduced. We relate the moments to the electric dipole moment of electron (eEDM) and estimate $\mu^{CP}$ for several diamagnetic polar molecules. The moments exhibit a steep, Z^5, scaling with the nuclear charge Z of the heavier molecular constituent. A measurement of the CP-violating magnetization of a polarized sample of heavy molecules may improve the present limit on eEDM by several orders of magnitude.Comment: 4 pages, no figures, submitted to PR

Ion-induced nucleation. II. Polarizable multipolar molecules

Density functional theory is applied to ion-induced nucleation of polarizable multipolar molecules. The asymmetric nature of the ion-molecule interaction is shown to cause the sign preference in ion-induced nucleation. When the ion-molecule interaction is weak, the observed sign preference is consistent with that of the bare ion-molecule interaction potential and decreases with increasing supersaturation. However, as the ion-molecule interaction becomes stronger, the sign preference in the reversible work exhibits some nontrivial behavior. For molecular parameters applicable for CS2 and CH4, the predicted values of the reversible work of nucleation depend on the sign of the ion charge, yielding a difference in the nucleation rate by factors of 10 to 10^(2) and 10 to 10^(5), respectively

Long-range interactions in the ozone molecule: spectroscopic and dynamical points of view

Using the multipolar expansion of the electrostatic energy, we have characterized the asymptotic interactions between an oxygen atom O$(^3P)$ and an oxygen molecule O$_2(^3\Sigma_g^-)$, both in their electronic ground state. We have calculated the interaction energy induced by the permanent electric quadrupoles of O and O$_2$ and the van der Waals energy. On one hand we determined the 27 electronic potential energy surfaces including spin-orbit connected to the O$(^3P)$ + O$_2(^3\Sigma_g^-)$ dissociation limit of the O--O$_2$ complex. On the other hand we computed the potential energy curves characterizing the interaction between O$(^3P)$ and a O$_2(^3\Sigma_g^-)$ molecule in its lowest vibrational level and in a low rotational level. Such curves are found adiabatic to a good approximation, namely they are only weakly coupled to each other. These results represent a first step for modeling the spectroscopy of ozone bound levels close to the dissociation limit, as well as the low energy collisions between O and O$_2$ thus complementing the knowledge relevant for the ozone formation mechanism.Comment: Submitted to J. Chem. Phys. after revisio