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DVM Xα calculations of ionization potentials of the SF6 molecule

✍ Scribed by G.L. Gutzev; A.A. Levin

Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
378 KB
Volume
57
Category
Article
ISSN
0009-2614

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✦ Synopsis

~onimtion potent&k of the S& mokxzde have been c&-ted with the kelp of the discrete variatioti Xp method. A basis of numesicaI Hartree-Fock fknctions has been used. 3d Slater-type functions$ave also been included into the basis set in order to investigate the effect of 3d sulphur orbitals. The ordming of the levels calculated in the sp baais is ltlg, ltzu + %l* 3% ltz* 4t,lD ordering b&g unaffected. 5axg. The effect of 3d orb&& is restricted to some lowveriag of the eg and tzg Ievels, the Ievef

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Applying mass selective We-color resonant two-photon ionization spectroscopy, we have measured the ionization and fragmentation thresholds of small benzene-( SF,),,, clusters. For the resonant excitation ofthe electronic S, state either the @ vibrationless transition or the 6: vibronic transition of