Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 4d elements Y-Cd

Theoretical Chemistry Accounts

Volumn 117, Issue 4, 2007, Pages 483-489

  Dyall, Kenneth G ^a  

^a SCHRÖDINGER INC   (United States)

Author keywords

4d Elements; Correlating functions; Double zeta; Gaussian functions; Quadruple zeta; Relativistic basis set; Triple zeta

Indexed keywords

EID: 33947499039     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-006-0174-5     Document Type: Article

References (36)

1. Malli GL, Da Silva ABF, Ishikawa Y (1993) Phys Rev A 47:143
2. Malli GL, Da Silva ABF, Ishikawa Y (1994) J Chem Phys 101:6829
3. Fægri K Jr (2001) Theor Chem Acc 105:252
4. Fægri K Jr (2001) Chem Phys 311:25
5. Dyall KG (1998) Theor Chem Acc 99:366
6. Dyall KG (2002) Theor Chem Acc 108:365
7. Dyall KG (2002) Theor Chem Acc 108:335
8. Dyall KG (2006) Theor Chem Acc 115:441
9. Dyall KG (2004) Theor Chem Acc 112:403
10. Dyall KG (2006) Theor Chem Acc (in press)
11. Koga T, Tatewaki H, Matsuoka O (2001) J Chem Phys 115:3561
12. Koga T, Tatewaki H, Matsuoka O (2002) J Chem Phys 117:7813
13. Koga T, Tatewaki H, Matsuoka O (2003) J Chem Phys 119:1279
14. Tatewaki H,Watanabe Y (2004) J Chem Phys 121:4528
15. Douglas M, Kroll NM (1974) Ann Phys (NY) 82:89
16. Hess BA (1985) Phys Rev A 32:756
17. Hess BA (1986) Phys Rev A 33:3742
18. Tsuchiya T, AbeM, Nakajima T,Hirao K (2001) J Chem Phys 115:4463
19. Nakajima T, Hirao K (2002) J Chem Phys 116:8270
20. Osanai Y, Noro T, Miyoshi E (2002) J Chem Phys 117:9623
21. Noro T, Sekiya M, Osanai Y, Miyoshi E, Koga T (2003) J Chem Phys 119:5142
22. Osanai Y, Noro T, Miyoshi E, Sekiya M, Koga T (2004) J Chem Phys 120:6408
23. Balabanov NB, Peterson KA (2005) J Chem Phys 123:064107
24. Peterson KA, Puzzarini C (2005) Theor Chem Acc 114:283
25. Dunning TH Jr (1989) J Chem Phys 90:1007
26. Kendall RA, Dunning TH Jr, Harrison RJ (1992) J Chem Phys 96:6769
27. Woon DE, Dunning TH Jr (1993) J Chem Phys 98:1358
28. Wilson AK, Woon DE, Peterson KA, Dunning TH Jr (1999) J Chem Phys 110:7667
29. Dyall KG, Fægri K Jr (1996) Theor Chim Acta 94:39
30. Seth M, Shepard R, Wagner A, Dyall KG (2001) J Phys B 34:2383
31. Visscher L,DyallKG(1997) At Data Nucl Data Tables 67:207
32. Bauschlicher CW, Langhoff SR, Partridge H. In: Yarkony DR (ed) Modern electronic structure theory, Part II. World Scientific, Singapore, p 1280
33. Feller D (1992) J Chem Phys 96:6104
34. Martin JML (1996) Chem Phys Lett 259:669
35. Helgaker T, KlopperW, Koch H, Noga J (1997) J Chem Phys 106:9639
36. Dyall KG (1994) J Chem Phys 100:2118