Fully numerical Hartree-Fock calculations on the third-row diatomics AlF, SiO, PN, CS, BCl, SH- and P2

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Bibliographic Details
Published inChemical physics letters Vol. 134; no. 6; pp. 575 - 578
Main Authors PYYKKO, P, DIERCKSEN, G. H. F, MULLER-PLATHE, F, LAAKSONEN, L
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier Science 20.03.1987
Subjects
Ab initio calculations
Atomic and molecular physics
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Physics
Boron Chlorides
Theoretical study
Hartree Fock theory
Phosphorus Molecules
Total electron energy
Inorganic compound
Electric field gradient
Diatomic molecule
Electronic structure
Electric multipole moment
Quadrupole coupling constant
Phosphorus Nitrides
Hydrogensulfides
Carbon monosulfide
Aluminium I Fluorides
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ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(87)87196-8