Multiresolution potential energy surfaces for vibrational state calculations

Theoretical Chemistry Accounts

Volumn 118, Issue 3, 2007, Pages 681-691

  Yagi, Kiyoshi ^a,b   Hirata, So ^c   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c University of Florida ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34548443309     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-007-0363-x     Document Type: Article

References (50)

1. Herman M, Lievin J, Auwera JV and Campargue A (1999). Global and accurate vibration hamiltonians from high-resolution molecular spectroscopy. Wiley, New York
2. Bowman JM (1978). J Chem Phys 68: 608
3. Gerber RB and Ratner MA (1979). Chem Phys Lett 68: 195
4. Bowman JM (1986). Acc Chem Res 19: 202
5. Bowman JM, Carter S and Huang X (2003). Int Rev Phys Chem 22: 533
6. Gerber RB and Ratner MA (1998). Adv Chem Phys 70: 97
7. Christiansen O (2004). J Chem Phys 120: 2149
8. Carter S, Culik SJ and Bowman JM (1997). J Chem Phys 107: 10458
9. Chaban GM, Jung JO and Gerber RB (1999). J Chem Phys 111: 1823
10. Matsunaga N, Chaban GM and Gerber RB (2002). J Chem Phys 117: 3541
11. Yagi K, Taketsugu T, Hirao K and Gordon MS (2000). J Chem Phys 113: 1005
12. Irle S and Bowman JM (2000). J Chem Phys 113: 8401
13. Burcl R, Carter S and Handy NC (2003). Chem Phys Lett 373: 357
14. Barone V (2004). J Chem Phys 120: 3059
15. Barone V (2005). J Chem Phys 122: 014108
16. Yagi K, Hirao K, Taketsugu T, Schmidt MW and Gordon MS (2004). J Chem Phys 121: 1383
17. Taketsugu T, Yagi K and Gordon MS (2005). Int J Quant Chem 104: 758
18. Bürger H, Kuna R, Ma S, Breidung J and Thiel W (1994). J Chem Phys 101: 1
19. Bürger H, Ma S, Breidung J and Thiel W (1996). J Chem Phys 104: 4945
20. Boese AD and Martin JML (2004). J Phys Chem A 108: 3085
21. Begue D, Carbonniere P and Pouchan C (2005). J Phys Chem A 109: 4611
22. Kongsted J and Christiansen O (2006). J Chem Phys 125: 124108
23. Xie T and Bowman JM (2002). J Chem Phys 117: 10487
24. Carter S and Handy NC (2002). Chem Phys Lett 352: 1
25. Carter S, Bowman JM and Braams BJ (2001). Chem Phys Lett 342: 636
26. Rauhut G (2004). J Chem Phys 121: 9313
27. Pfluger K, Paulus M, Jagiella S, Burkert T and Rauhut G (2005). Theor Chem Acc 114: 327
28. Hrenar T, Werner HJ and Rauhut G (2005). Phys Chem Chem Phys 7: 3123
29. Yagi K, Taketsugu T and Hirao K (2002). J Chem Phys 116: 3963
30. Yagi K, Oyanagi C, Taketsugu T and Hirao K (2003). J Chem Phys 118: 1653
31. Oyanagi C, Yagi K, Hirao K and Taketsugu T (2006). J Chem Phys 124: 064311
32. Maeda S, Watanabe Y and Ohno K (2005). Chem Phys Lett 414: 265
33. Rheinecker JL and Bowman JM (2006). J Chem Phys 124: 131102
34. Rheinecker J and Bowman JM (2006). J Chem Phys 125: 133206
35. Light JC and Carrington T (2000). Adv Chem Phys 114: 263
36. Becke AD (1993). J Chem Phys 98: 5648
37. Lee C, Yang W and Parr RG (1988). Phys Rev B 37: 785
38. Bartlett RJ (1995) In: Yarkony DR (ed) Modern electronic structure theory, vol II. World Scientific, Singapore
39. Hirata S and Bartlett RJ (2000). Chem Phys Lett 321: 216
40. Dunning TH (1989). J Chem Phys 90: 1007
41. Stanton JF, Gauss J, Watts JD, Nooijen M, Oliphant N, Perera SA, Szalay PG, Lauderdale WJ, Kucharske SA, Gwaltney SR, Beck S, Balková A, Bernholdt DE, Baeck KK, Rozyczko P, Sekino H, Hober C, Bartlett RJ, ACES2, Quantum Theory Project, University of Florida
42. Frisch MJ et al (2004) Gaussian 03, Revision C.02, Gaussian, Wallingford
43. Yagi K (2006). SINDO. University of Tokyo, Tokyo
44. Tennyson J, Zobov NF, Williamson R, Polyansky OL and Bernath PF (2001). J Phys Chem Ref Data 30: 735
45. Bouwens RJ, Hammerschmidt JA, Grzeskowiak MM, Stegink TA, Yorba PM and Polik WF (1996). J Chem Phys 104: 460
46. Benedict WS, Gailar N and Plyler EK (1956). J Chem Phys 24: 1139
47. Mas EM and Szalewicz K (1996). J Chem Phys 104: 7606
48. Kuchitsu K and Kern CW (1962). J Chem Phys 36: 2460
49. Gurvich LV, Veyts IV and Alcock CB (1989). Thermodynamic properties of individual substances, 4th edn. Hemisphere Publishing, New York
50. Duncan JL (1974). Mol Phys 28: 1177