Ab initio potential energy surface and excited vibrational states for the electronic ground state of...
Ab initio potential energy surface and excited vibrational states for the electronic ground state of Li2H
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Heidelberg: Springer Nature B.V
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English
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Heidelberg: Springer Nature B.V
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A 285-pomt multi-reference configuration-interaction involving single and double excitations ( MRS DCI) potential energy surface for the electronic ground state of L12H is determined by using 6-311G (2df,2pd)basis set.A Simons-Parr-Finlan polynomial expansion is used to fit the discrete surface with a x2 of 4.64×106 The equn librium geometry occurs...
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Full title
Ab initio potential energy surface and excited vibrational states for the electronic ground state of Li2H
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TN_cdi_proquest_journals_2918607608
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2918607608
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ISSN
1674-7291
E-ISSN
1869-1870
DOI
10.1007/BF02877749
