TY - JOUR
T1 - Quasi-molecular orbital calculation using the DV-Xα method in Ne-Ne collisions
AU - Yamamoto, T.
AU - Uda, M.
PY - 1999/4/2
Y1 - 1999/4/2
N2 - 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.
AB - 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.
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U2 - 10.1016/S0168-583X(98)00991-4
DO - 10.1016/S0168-583X(98)00991-4
M3 - Conference article
AN - SCOPUS:0033515218
SN - 0168-583X
VL - 150
SP - 66
EP - 68
JO - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
JF - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
IS - 1-4
T2 - Proceedings of the 1998 8th International Conference on PIXE and its Analytical Applications
Y2 - 14 June 1998 through 18 June 1998
ER -