Relativistic and non-relativistic local-density functional, benchmark results and investigation on the dimers Cu2, Ag2, Au2, Rg2

Chemical Physics

Volumn 351, Issue 1-3, 2008, Pages 106-110

  Kullie, O ^a   Zhang, H ^a   Kolb, D ^a  

^a UNIVERSITY OF KASSEL   (Germany)

Author keywords

Finite element method in quantum chemistry; Minimax method in relativistic quantum chemistry; Relativistic density functional theory; Relativistic molecular calculations; Theoretical quantum chemistry and physics

Indexed keywords

EID: 44949255198     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2008.04.002     Document Type: Article

References (22)

1. Dolbeault J., Esteban M.J., Séré E., and Vanbreugel M. Phys. Rev. Lett. 85 (2000) 4020
2. Kullie O., Kolb D., and Rutkowski A. Chem. Phys. Lett. 383 (2004) 215
3. Kullie O., Zhang H., Kolb J., and Kolb D. J. Chem. Phys. 125 (2006) 244303
4. Engl E., Auth T., and Dreizler R.M. Phys. Rev. B 64 (2001) 235126
5. E. Engl, Private communication.
6. Kullie O., and Kolb D. Eur. Phys. J.D 17 (2001) 167
7. Kullie O., and Kolb D. J. Phys. B: At. Mol. Opt. Phys. 36 (2003) 4361
8. Yang L., Heinemann D., and Kolb D. Phys. Rev. A 48 (1993) 2700
9. Düsterhöft C., Yang L., Heinemann D., and Kolb D. Chem. Phys. Lett. 229 (1994) 667
10. Vosko S.H., Wilk L., and Nusair M. Can. J. Phys. 58 (1980) 1200
11. Rajagopal A.K. J. Phys. C 11 (1978) L943
12. MacDonald A.H., and Voskos S.H. J. Phys. C 12 (1979) 2977
13. Schmidt R.N., Engel E., Dreizler R.M., Blaha P., and Schwarz K. Adv. Quantum Chem. 33 (1999) 209
14. Varga S., Engel E., Sepp W.D., and Fricke B. Phys. Rev. A 59 (1999) 4288
15. H. Zhang, Private communication.
16. Kopylow A.v., and Kolb D. Chem. Phys. Lett. 295 (1998) 439
17. Baştuǧ T., Heinemann D., Sepp W.-D., Kolb D., and Fricke B. Chem. Phys. Lett. 211 (1993) 119
18. Zhang H., Luo H.J., Kolb J., Kullie O., and Kolb D. J. Phys. B: At. Mol. Opt. Phys. 38 (2005) 2955
19. Wang F., and Liu W. Chem. Phys. 311 (2005) 63
20. Engel E., Höck A., and Varga S. Phys. Rev. B 63 (2001) 125121
21. Liu W., and van Wüllen C. J. Chem. Phys. 110 (1999) 3730
22. D.R. Lide, (Ed.), CRC Handbook of Chemistry and Physics, 86th ed., CRS Press, Taylor & Francis, USA, 2005-2006.