Ab initio structure calculations of hydr
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M. Farizon; B. Farizon-Mazuy; N.V. de Castro Faria; H. Chermette
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Article
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1991
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Elsevier Science
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English
β 518 KB
Ab initio molecular electronic-structure theory has been used in an attempt to characterize the low-lying stationary points on the potential energy hypersurface of positive ionic hydrogen clusters. Using triple-zeta-plus-polarization hasis sets, self-consistentfield Hartree-Fock calculations, confmr