Basis set convergence of correlated calculations on He, H2, and He2
- 22 June 2000
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 112 (24) , 10746-10753
- https://doi.org/10.1063/1.481718
Abstract
No abstract availableKeywords
This publication has 60 references indexed in Scilit:
- Explicitly correlated Gaussian functions in variational calculations: the ground state of helium dimerMolecular Physics, 1997
- Basis-set convergence of correlated calculations on waterThe Journal of Chemical Physics, 1997
- Benchmark calculations with correlated molecular wave functions. X. Comparison with “exact” MP2 calculations on Ne, HF, H2O, and N2The Journal of Chemical Physics, 1997
- Ab initio investigation of the N2–HF complex: Accurate structure and energeticsThe Journal of Chemical Physics, 1996
- Benchmark full configuration interaction calculations on the helium dimerThe Journal of Chemical Physics, 1995
- Benchmark calculations with correlated molecular wave functions. VII. Binding energy and structure of the HF dimerThe Journal of Chemical Physics, 1995
- Configuration interaction calculations with terms linear in the interelectronic coordinate for the ground state of H+3. A benchmark studyThe Journal of Chemical Physics, 1993
- Theoretical studies of sulfurous species of importance in atmospheric chemistry. 1. Characterization of the mercaptooxy (HSO) and hydroxythio (SOH) isomersThe Journal of Physical Chemistry, 1993
- On application of 0s orbitals in SCF calculationsThe Journal of Chemical Physics, 1981
- Note on an Approximation Treatment for Many-Electron SystemsPhysical Review B, 1934