Model potentials for molecular calculations. I. The sd‐MP set for transition metal atoms Sc through Hg
- 1 April 1987
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 8 (3) , 226-255
- https://doi.org/10.1002/jcc.540080304
Abstract
No abstract availableKeywords
This publication has 31 references indexed in Scilit:
- Model potential study of the interactions in Ar2, Kr2 and Xe2 dimersMolecular Physics, 1984
- Pseudopotential SCF–MO studies of hypervalent compounds. IV. Structure, vibrational assignments, and intramolecular forces in IF7The Journal of Chemical Physics, 1982
- Doubly charged cation representation by pseudopotentials and its performance in predicting water–cation interactionsThe Journal of Chemical Physics, 1982
- The use of model potentials in molecular calculations. IIThe Journal of Chemical Physics, 1982
- The use of model potentials in molecular calculations. IThe Journal of Chemical Physics, 1982
- New developments in the model potential methodThe Journal of Chemical Physics, 1981
- Improved a b i n i t i o effective core potentials for molecular calculationsThe Journal of Chemical Physics, 1979
- Atomic coreless Hartree–Fock pseudopotential for atoms Li through Nea)The Journal of Chemical Physics, 1979
- Atomic coreless Hartree–Fock pseudopotentials for atoms K through ZnThe Journal of Chemical Physics, 1978
- Theoretical ChemistryPublished by Royal Society of Chemistry (RSC) ,1978