Molecular orbital calculations were performed for Ne-Ne quasi-molecules formed during collisions by changing the internuclear distance between 0.01 and 10 a.u. using the discrete variational (DV)-Xα MO calculational method. The equilibrium number of electrons on the basis atomic orbitals were estimated as a function of internuclear distance from which the critical internuclear distance to form quasi-molecular orbitals were deduced.
|Number of pages||3|
|Journal||Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms|
|Publication status||Published - 1999 Apr 2|
ASJC Scopus subject areas
- Surfaces, Coatings and Films
- Surfaces and Interfaces