Abstract

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Keywords

BerylliumValence (chemistry)GaussianBasis (linear algebra)Molecular orbitalType (biology)PhysicsMathematicsChemistryComputational chemistryGeometryGeologyQuantum mechanicsNuclear physicsMolecule

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<i>A</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> effective core potentials including relativistic effects. V. SCF calculations with ω–ω coupling including results for Au2+, TlH, PbS, and PbSe

A b initio self-consistent field calculations are reported for a series of diatomic molecules using relativistic effective core potentials (REP) and basis sets appropriate for ω...

1980 The Journal of Chemical Physics 70 citations

Publication Info

Year
1977
Type
article
Volume
66
Issue
2
Pages
879-880
Citations
158
Access
Closed

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J. Stephen Binkley, John A. Pople (1977). Self-consistent molecular orbital methods. XIX. Split-valence Gaussian-type basis sets for beryllium. The Journal of Chemical Physics , 66 (2) , 879-880. https://doi.org/10.1063/1.433929

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DOI
10.1063/1.433929