Photoionization has been used to produce ions of N2 , 0 2 . and CO in definite excited states. Deactivating collisions of these ions with molecular gases were described in paper I, where the cross sections of ions with thermal velocity are given for various electronic and vibrational states. By application of an electric field the charged particles are accelerated yielding information on the in...

Clearly N is perpendicular to R, so the projection of J onto R is the same as the projection LR with eigenvalue ¤1 h of L. (We now reserve z for a direction ̄xed in space, and use the subscript R for a component along R). Because total angular moment of an isolated molecule is constant, eigenfunctions of H when L is non-zero will have the quantum numbers J , MJ , ¤, s (to describe the electronic...

Molecules are of course atoms that are held together by shared valence electrons. That is, most of each atom is pretty much as it would be if the atom were isolated, but one or a few electrons are located in regions (for example, between two atomic cores) where they lead to an overall attractive e®ect. To see roughly how this works, you might consider the case of two protons and two electrons a...

A noncanonical coupled perturbed Kohn–Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment of spin–orbit coupling (SOC) is provided. We take the scalar-relativistic KS-DFT/HF solution, obtained with a relativistic effective core potential, as zeroth-order approximation. Explicit expressions are given for total energy through 4th order, which satisfy 2n + 1 rule. Second-order prov...

0092-640X/$ see front matter 2009 Elsevier Inc. A doi:10.1016/j.adt.2009.12.002 * Corresponding author. Tel.: +1 617 496 7612; fax E-mail addresses: [email protected] (A. Derev (S.G. Porsev), [email protected] (J.F. Babb). The electric dipole polarizabilities evaluated at imaginary frequencies for hydrogen, the alkali–metal atoms, the alkaline–earth atoms, and the noble gases are tabulated alo...