Recent Developments in Configuration Interaction and Density Functional Theory Calculations of Radical Hyperfine Structure.
- 1 January 1996
- book chapter
- Published by Elsevier
Abstract
No abstract availableThis publication has 100 references indexed in Scilit:
- Hyperfine Structures of the Series C2HnF5-n, n = 0-5: A Density Functional Theory StudyThe Journal of Physical Chemistry, 1995
- Study of influences of various excitation classes onab initio calculated isotropic hyperfine coupling constantsTheoretical Chemistry Accounts, 1993
- Medium-size Gaussian basis sets for hydrogen through argonTheoretical Chemistry Accounts, 1993
- Exploiting regularity in systematic sequences of wavefunctions which approach the full CI limitTheoretical Chemistry Accounts, 1992
- The spin polarization model for hyperfine coupling constantsTheoretical Chemistry Accounts, 1992
- Configuration interaction calculations on the propane radical cation, C3H 8 +Theoretical Chemistry Accounts, 1990
- Quasidegenerate variational perturbation theory and the calculation of first-order properties from variational perturbation theory wave functionsThe Journal of Chemical Physics, 1988
- The valence isoelectronic molecules CCO, CNN, SiCO, and SiNN in their triplet ground states: Theoretical predictions of structures and infrared spectraThe Journal of Chemical Physics, 1988
- Carbon-13 hyperfine constants of methyleneamidogen, hydroxymethyleneamidogen and aminooxomethyl radicalsThe Journal of Physical Chemistry, 1988
- Approximate calculation of the correlation energy for the closed shellsTheoretical Chemistry Accounts, 1975