Show simple item record

dc.creatorHopper, D. G.en_US
dc.descriptionAuthor Institution: Science Applications Incorporateden_US
dc.description.abstractThe MCSCF potential curve of the $X^{1}\Sigma_{g}{^{+}}$ and $2^{1}\Sigma_{g}{^{+}}$ ground states of $He_{2}^{++}$ have been computed with a near Hartree-Fock limit one-electron basis and a 4-sigma, 2-pi orbital basis. Only diagonal double excitations were necessary in the construction of the MCSCF wavefunction. The intermediate and long range potential for $He{^{+}}(^{2} S) + He{^{+}} (^{2}S)$ is purely Coulombic. However, at short range the two electrons localize between the two nuclei giving rise to a sizable metastable well in an otherwise repulsive curve. The well is 1.3 eV deep, occurs at $Re = 0.71$ \AA, and has a vibrational spacing of about 0.4 eV. This well is capable of supporting at least three vibrational states of ($^{3} He^{4}He)^{++}$ and, thus, should be observable in mass spectrometric detection experiments. These results compare very well with other theoretical calculations. The excited state curve for $He^{++}$ approach to He has a shallow polarization well. The excited state curve never approaches the hump in the ground state curve. The role of these potential curves in the process $He{^{++}} + He + e \rightarrow He^{+} +$ He is discussed. The mechanism \[ \begin{array}{l} He^{++} + He \stackrel{m}{\rightarrow}He_{2}^{++}(2^{1} \Sigma_{g}{^{+}})\\ He_{2}^{++} (2^{1}\Sigma^{+}) \rightarrow He_{2}^{++} (X^{1} \Sigma_{g}{^{+}}) +h\nu\\ He_{2}^{++} (X^{1} \Sigma^{+}_{g}) + e \rightarrow He{^{+}} + He + k.e. \end{array} \] is proposed.en_US
dc.format.extent149572 bytes
dc.publisherOhio State Universityen_US
dc.titleTHE ROLE OF THE METASTABLE POTENTIAL WELL OF $He_{2}^{++}(X^{1}\Sigma_{g}{^{+}})$ IN THE PROCESS $He^{++} + He + e \rightarrow He^{+} + $Heen_US

Files in this item


Items in Knowledge Bank are protected by copyright, with all rights reserved, unless otherwise indicated.

This item appears in the following Collection(s)

Show simple item record