On the optimisation of exponents ofd andf polarisation functions for first row atoms
- 1 October 1992
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 84 (1-2) , 115-124
- https://doi.org/10.1007/bf01117407
Abstract
No abstract availableKeywords
This publication has 24 references indexed in Scilit:
- Wave functions with terms linear in the interelectronic coordinates to take care of the correlation cusp. I. General theoryThe Journal of Chemical Physics, 1991
- Wave functions with terms linear in the interelectronic coordinates to take care of the correlation cusp. III. Second-order Mo/ller–Plesset (MP2-R12) calculations on molecules of first row atomsThe Journal of Chemical Physics, 1991
- Wave functions with terms linear in the interelectronic coordinates to take care of the correlation cusp. II. Second-order Mo/ller–Plesset (MP2-R12) calculations on closed-shell atomsThe Journal of Chemical Physics, 1991
- MP2-R12 calculations on the relative stability of carbocationsThe Journal of Physical Chemistry, 1990
- Møller Plesset Calculations with Explicitly Correlated Wave FunctionsPublished by Springer Nature ,1989
- Present and future trends in quantum chemical calculationsJournal of Molecular Structure: THEOCHEM, 1988
- Møller-plesset calculations taking care of the correlation CUSPChemical Physics Letters, 1987
- r 12-Dependent terms in the wave function as closed sums of partial wave amplitudes for large lTheoretical Chemistry Accounts, 1985
- Effective convergence to complete orbital bases and to the atomic Hartree–Fock limit through systematic sequences of Gaussian primitivesThe Journal of Chemical Physics, 1979
- Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic MoleculesThe Journal of Chemical Physics, 1972