Approximate molecular relativistic Dirac-Coulomb calculations using a simple Coulombic correction

Theoretical Chemistry Accounts

Volumn 98, Issue 2-3, 1997, Pages 68-70

  Visscher, Lucas ^a  

^a UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

Relativistic calculations; Spectroscopic constants

Indexed keywords

EID: 0031320413     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050280     Document Type: Article

References (7)

1. Stanton RE, Havriliak S (1984) J Chem Phys 81: 1910
2. Lee YS (1986) Bull Korean Chem Soc 7: 480
3. Dyall KG (1992) Chem Phys Lett 196: 178
4. Pisani L, Clementi E (1994) J Comp Chem 15: 466
5. Saue T, Fægri K, Helgaker T, Gropen O (1997) Mol Phys 91: 937
6. Visscher L, Dyall KG (1996) J Chem Phys 104: 9040
7. Visscher L, Visser O, Aerts PJC, Merenga H, Nieuwpoort WC(1994) Comp Phys Comm 81: 120