31 pages (texte+figures)We present the multipolar potentials at large intermolecular distances for the 18 doubly-degenerate spin-orbit states arising from the interaction between the two open-shell systems, C($^3$P) and OH(X$^2\Pi$). With OH fixed at its ground vibrational state averaged distance $r_0$, the long-range potentials are two-dimensional potential energy surfaces (PESs) that depend on the intermolecular distance $R$ and the angle $\gamma$ between $R$ and $r$. The 18 $\times$ 18 diabatic potential matrix elements are built up from the perturbation theory up to second order and from a two-center expansion of the coulombic interaction potential, resulting in a multipolar expansion of the potential matrix expressed as a series of ter...
The general formalism of the multipolar expansion of electrostatic interactions is applied to the ca...
We study the long-range interaction between two hydrogen atoms, in both the van der Waals and Casimi...
Deriving electron configurations and valence bond interaction energies for 18 molecular combinations...
31 pages (texte+figures)We present the multipolar potentials at large intermolecular distances for t...
Electric multipole moments, static dipole polarizabilities, and dynamic dipole, quadrupole, and mixe...
In a recent work we have been able to model the long-range interactions within the H2O molecule. Us...
International audienceA new method is proposed to analytically represent the potential energy surfac...
Contains fulltext : 13887.pdf (publisher's version ) (Open Access
International audienceModeling of the observational spectra of H3O+ allows for a detailed understand...
International audienceNew long-range multipolar coefficients for the X + OH(X-2 Pi) interactions, wh...
Author Institution: Department of Chemistry, University of Waterloo, Waterloo, Ontario; N2L 3G1, Can...
\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.35]{mdmlr.eps} \end{wrapfigure} A potential ...
The general formalism of the multipolar expansion of electrostatic interactions is applied to the ca...
We study the long-range interaction between two hydrogen atoms, in both the van der Waals and Casimi...
Deriving electron configurations and valence bond interaction energies for 18 molecular combinations...
31 pages (texte+figures)We present the multipolar potentials at large intermolecular distances for t...
Electric multipole moments, static dipole polarizabilities, and dynamic dipole, quadrupole, and mixe...
In a recent work we have been able to model the long-range interactions within the H2O molecule. Us...
International audienceA new method is proposed to analytically represent the potential energy surfac...
Contains fulltext : 13887.pdf (publisher's version ) (Open Access
International audienceModeling of the observational spectra of H3O+ allows for a detailed understand...
International audienceNew long-range multipolar coefficients for the X + OH(X-2 Pi) interactions, wh...
Author Institution: Department of Chemistry, University of Waterloo, Waterloo, Ontario; N2L 3G1, Can...
\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.35]{mdmlr.eps} \end{wrapfigure} A potential ...
The general formalism of the multipolar expansion of electrostatic interactions is applied to the ca...
We study the long-range interaction between two hydrogen atoms, in both the van der Waals and Casimi...
Deriving electron configurations and valence bond interaction energies for 18 molecular combinations...