Energy-adjusted ab initio pseudopotentials for the second and third row transition elements

Theoretica Chimica Acta

Volumn 77, Issue 2, 1990, Pages 123-141

  Andrae, D ^a   Haussermann U ^a   Dolg, M ^a   Stoll, H ^a   Preuss H ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

Author keywords

Pseudopotentials; Spin orbit operator; Transition metals

Indexed keywords

EID: 11744322674     PISSN: 00405744     EISSN: 14322234     Source Type: Journal    
DOI: 10.1007/BF01114537     Document Type: Article

References (31)

1. Effective Potentials in Molecular Quantum Chemistry
2. Energy-adjusted pseudopotentials for transition-metal elements
3. Ab initio pseudopotential study of the first row transition metal monoxides and iron monohydride
4. Energy-adjusted ab initio pseudopotentials for the first row transition elements
5. Model potentials for molecular calculations. I. The sd-MP set for transition metal atoms Sc through Hg
6. Relativistic effects in gold chemistry. I. Diatomic gold compounds
7. The electronic structure of transition metal atoms and diatoms through pseudopotential approaches