Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the lanthanides La–Lu
Open Access
- 23 January 2010
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 127 (4) , 369-381
Abstract
No abstract availableKeywords
This publication has 52 references indexed in Scilit:
- The hyperfine interaction in the AΠ1∕22 and XΣ+2 states of ytterbium monofluorideThe Journal of Chemical Physics, 2007
- Relativistic correlating basis sets for lanthanide atoms from Ce to LuJournal of Computational Chemistry, 2006
- Two‐step method for precise calculation of core properties in moleculesInternational Journal of Quantum Chemistry, 2004
- Gaussian-type function set without prolapse H1 through Bi83 for the Dirac-Fock-Roothaan equationThe Journal of Chemical Physics, 2004
- Relativistic Gaussian basis sets for molecular calculations: Cs–HgThe Journal of Chemical Physics, 2002
- DIRAC–FOCK ATOMIC ELECTRONIC STRUCTURE CALCULATIONS USING DIFFERENT NUCLEAR CHARGE DISTRIBUTIONSAtomic Data and Nuclear Data Tables, 1997
- Basis-set convergence of correlated calculations on waterThe Journal of Chemical Physics, 1997
- Formulation and implementation of a relativistic unrestricted coupled-cluster method including noniterative connected triplesThe Journal of Chemical Physics, 1996
- Universal Gaussian basis set for accurateab initio/PrelativisticDirac-FockcalculationsPhysical Review A, 1993
- Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functionsThe Journal of Chemical Physics, 1992