Nonadiabatic formulation of the problem on collision of two slow multielectron atoms

Citation
G. Hadinger et al., Nonadiabatic formulation of the problem on collision of two slow multielectron atoms, CHEM PHYS R, 18(7), 2000, pp. 1255-1287
Citations number
25
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS REPORTS
ISSN journal
10741550 → ACNP
Volume
18
Issue
7
Year of publication
2000
Pages
1255 - 1287
Database
ISI
SICI code
1074-1550(2000)18:7<1255:NFOTPO>2.0.ZU;2-V
Abstract
The equations governing a. collision of two slow multielectron atoms with n onzero spins and orbital angular momentums in a finite electron basis are d erived using the method of resonant groups. The equations take proper accou nt of the identity of electrons, and the boundary conditions for scattering and, therefore, are not subject to the well known drawbacks of the standar d equations for scattering of atoms in the adiabatic electron basis. On the other hand, the new equations have the same form as the equations of the c onventional theory in the adiabatic basis and do not contradict the qualita tive pattern of inelastic atomic collisions inferred from them. The express ions derived for the matrix elements of nonadiabatic Coriolis interaction a nd coupling between even and odd electron states for the case of isotope re placement in a homonuclear system are unambiguous and depend only on the ch oice of a finite electron basis.