A scalar-relativistic extension of the linear combination of Gaussian-type orbitals local density functional method: application to AuH, AuCl and Au2
- 13 November 1992
- journal article
- research article
- Published by Elsevier in Chemical Physics Letters
- Vol. 199 (5) , 491-496
- https://doi.org/10.1016/0009-2614(92)87033-l
Abstract
No abstract availableThis publication has 27 references indexed in Scilit:
- Reply to the Comment on: Relativistic linear combination of Gaussian-type orbitals density functional method based on a two-component formalism with external field projectorsThe Journal of Chemical Physics, 1992
- Three-center Gaussian-type-orbital integral evaluation using solid spherical harmonicsPhysical Review A, 1990
- “Aurophilicity” as a Consequence of Relativistic Effects: The Hexakis(triphenylphosphaneaurio)methane Dication [(Ph3PAu)6C]2⊕Angewandte Chemie International Edition in English, 1988
- Relativistic effects in structural chemistryChemical Reviews, 1988
- Ab initio fully relativistic molecular calculations: bonding in gold hydrideProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1986
- Basis set expansion of the dirac operator without variational collapseInternational Journal of Quantum Chemistry, 1984
- Relativistic effects on bondingThe Journal of Chemical Physics, 1981
- Foundations of the relativistic theory of many-electron atomsPhysical Review A, 1980
- Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysisCanadian Journal of Physics, 1980
- Relativistic molecular calculations in the Dirac–Slater modelThe Journal of Chemical Physics, 1975