Relativistic all-electron ab initio calc
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Timo Fleig; Christel M. Marian
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Article
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1994
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Elsevier Science
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English
⚖ 559 KB
The results of relativistic self-consistent field, complete active space self-consistent field and multireference configuration interaction calculations for the platinum hydride molecule are presented, using the spin-free no-pair Hamiltonian in a basis set expansion. Spin-orbit interaction effects a