Keywords

Quantum chemistryChemistryComputational chemistryChemical physicsMoleculeSupramolecular chemistryOrganic chemistry

Related Publications

<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
1984
Type
article
Volume
35
Issue
1
Pages
357-385
Citations
404
Access
Closed

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M. Krauß, Walter J. Stevens (1984). Effective Potentials in Molecular Quantum Chemistry. Annual Review of Physical Chemistry , 35 (1) , 357-385. https://doi.org/10.1146/annurev.pc.35.100184.002041

Identifiers

DOI
10.1146/annurev.pc.35.100184.002041