Can extrapolation to the basis set limit be an alternative to the counterpoise correction? A study on the helium dimer

Theoretical Chemistry Accounts

Volumn 119, Issue 5-6, 2008, Pages 511-521

  Varandas, A J C ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 43349093475     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-008-0419-6     Document Type: Article

References (57)

1. Pople JA, Binkley JS and Seeger R (1976). Int J Quant Chem Symp 10: 1
2. Pople JA (1999). Rev Mod Phys 71: 1267
3. Bartlett RJ and Purvis GD (1980). Phys Scr 21: 255
4. Helgaker T, Jørgensen P and Olsen J (2000). Molecular electronic-structure theory. Wiley, Chichester
5. Gdanitz RJ and Ahlrichs R (1988). Chem Phys Lett 143: 413
6. Chalasinski G and Gutowski M (1988). Chem Rev 88: 943
7. Halkier A, Klopper W, Helgaker T, Jørgensen P and Taylor PR (1999). J Chem Phys 111: 9157
8. Lee JS and Park SY (2000). J Chem Phys 112: 10746
9. Dunning TH (2000). J Phys Chem A 104: 9062
10. Brutschy B, Hobza P (eds.) (2000) Chem Rev 100:3861
11. Barrientos C and Sordo JA (2007). Theor Chim Acta 118: 733
12. Boys F and Bernardi F (1970). Mol Phys 19: 553
13. Johansson A, Kollman P and Rothenberg S (1973). Theor Chim Acta 29: 167
14. Daudey JP, Claverie P and Malrieu JP (1974). Int J Q Chem 1: 8
15. Wells BH and Wilson S (1983). Chem Phys Lett 101: 429
16. White JC and Davidson E (1990). J Chem Phys 93: 8029
17. Valiron P and Mayer I (1997). Chem Phys Lett 275: 46
18. Mierzwicki K and Latajka Z (2000). Chem Phys Lett 325: 465
19. Murrell JN, Carter S, Farantos SC, Huxley P and Varandas AJC (1984). Molecular potential energy functions. Wiley, Chichester
20. Varandas AJC (2007). J Chem Phys 126: 244105
21. Schwenke DW and Truhlar DG (1984). J Chem Phys 82: 2418
22. Dunning TH (1989). J Chem Phys 90: 1007
23. Dunning TH Jr, Peterson KA, Woon DE (1998) Schleyer PvR, Allinger NL, Clark T, Gesteiger J, Kolman PA, Schaefer HF III (eds) In: Encyclopedia of computational chemistry. Wiley, Chichester, p 88
24. Gdanitz RJ (1999). Mol Phys 96: 1423
25. Van Duijneveldt FB and Bovenkamp J (1999). J Chem Phys 110: 11141
26. Mourik T and Dunning TH (1999). J Chem Phys 111: 9248
27. Klopper W and Noga J (1995). J Chem Phys 103: 6127
28. Noga J, Klopper W, Kutzelnigg W (1997) In: Bartlett RJ (ed) Recent advances in coupled-cluster Methods. World Scientific, Singapore, p 1
29. Anderson JB (2001). J Chem Phys 115: 4546
30. Anderson JB (2004). J Chem Phys 120: 9886
31. Korona T, Williams H, Bukowski R, Jeziorski B and Szalewicz K (1997). J Chem Phys 106: 5109
32. Klopper W (2001). J Chem Phys 115: 761
33. Bartlett R (1995) In: Yarkony D (ed) Modern electronic structure theory. World Scientific, Singapore
34. Raghavachari K, Trucks GW, Pople JA and Head-Gordon M (1989). Chem Phys Lett 115: 479
35. Komasa J (1999). J Chem Phys 110: 7909
36. Komasa J (2001). J Chem Phys 115: 158
37. Cencek W, Jeziorska M, Bukowski R, Jaszuński M, Jeziorski B and Szalewicz K (2004). J Phys Chem A 108: 3211
38. Patkowski K, Cencek W, Jeziorka M, Jeziorski B and Szalewicz K (2007). J Phys Chem A 111: 7611
39. Feller D and Sordo JA (2000). J Chem Phys 113: 485
40. Schwartz C (1962). Phys Rev 126: 1015
41. Kutzelnigg W and Morgan JD (1992). J Chem Phys 96: 4484
42. Flores JR, Slupski R and Jankowski K (2006). J Chem Phys 124: 104107
43. Helgaker T, Klopper W, Koch H and Noga J (1997). J Chem Phys 106: 9639
44. Feller D, Peterson KA and Crawford TD (2006). J Chem Phys 124: 054107
45. Varandas AJC (2000). J Chem Phys 113: 8880
46. Varandas AJC (2007). Phys Scr (Comm At Opt Mol Phys) 76: C28
47. Bytautas L and Ruedenberg K (2005). J Chem Phys 122: 154110
48. Varandas AJC (2007). J Chem Phys 127: 114316
49. Truhlar DG (1998). Chem Phys Lett 294: 45
50. Varandas AJC (2008). J Phys Chem A 112: 1841-1850
51. Karton A and Martin JML (2006). Theor Chem Acc 115: 330
52. Varandas AJC and Piecuch P (2006). Chem Phys Lett 430: 448
53. Varandas AJC (2007). Chem Phys Lett 443: 398
54. Werner H-J, Knowles PJ, Lindh R, Schütz M, Celani P, Korona T, Manby FR, Rauhut G, Amos RD, Bernhardsson A, Berning A, Cooper DL, Deegan MJO, Dobbyn AJ, Eckert F Hampel C, Hetzer G, Lloyd AW, McNicholas, SJ, Meyer W, Mura ME, Nicklass A, Palmieri P, Pitzer R, Schumann U, Stoll H, Stone AJ, Tarroni R, Thorsteinsson T (2003). Molpro, version 2002.6, a package of ab initio programs
55. Kobus J (1993). Chem Phys Lett 202: 7
56. Gdanitz RJ (2000). J Chem Phys 113: 5145
57. Jeziorka M, Cencek W, Patkowski K, Jeziorski B and Szalewicz K (2007). J Chem Phys 127: 124303