Relativistic and nonrelativistic finite nucleus optimized double zeta basis sets for the 4p, 5p and 6p elements

Theoretical Chemistry Accounts

Volumn 99, Issue 6, 1998, Pages 366-371

  Dyall, Kenneth G ^a  

^a NASA AMES RESEARCH CENTER   (United States)

Author keywords

Correlation consistent; Double zeta; Finite nucleus; Gaussian basis sets; P block; Relativistic basis sets

Indexed keywords

EID: 0032221823     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050349     Document Type: Article

References (11)

1. Malli GL, Da Suva ABF, Ishikawa Y (1993) Chem Phys Lett 201:37; (1994) J Chem Phys 101:6829
2. Malli GL, Da Suva ABF, Ishikawa Y (1993) Chem Phys Lett 201:37; (1994) J Chem Phys 101:6829
3. Jorge FE, Bobbio TB, da Silva ABF (1996) Chem Phys Lett 263:775
4. Lee YS, Baeck KK, Mc Lean AD (1989) J Comp Chem 10:112
5. Minami T, Matsuoka O (1995) Theor Chim Acta 90:27
6. Dyall KG, Fægri K Jr (1996) Theor Chim Acta 94:39
7. Dunning TH Jr (1989) J Chem Phys 90:1007
8. Visscher L, Dyall KG (1997) At Data Nucl Data Tables 67:207
9. Fægri K Jr (1987) Theor Chim Acta 72:297
10. Dyall KG (1994) In: Malli GL (ed) Relativisitic and correlation effects in molecules and solids. Plenum, New York, p 17
11. Dyall KG (1994) Chem Phys Lett 224:186