Multi-reference calculations of nitric oxide dimer

Chemical Physics Letters

Volumn 451, Issue 1-3, 2008, Pages 31-36

  Taguchi, Naoki ^a   Mochizuki, Yuji ^a,b,c   Ishikawa, Takeshi ^a,b   Tanaka, Kiyoshi ^c,d  

^a RIKKYO UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

^d UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITED STATES; GROUND STATE; MOLECULAR STRUCTURE; NITRIC OXIDE; OPTIMIZATION;

MULTI-REFERENCE CALCULATIONS; NITRIC OXIDE DIMER;

DIMERS;

EID: 37549046856     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.11.084     Document Type: Article

References (35)

1. Dinerman C.E., and Ewing G.E. J. Chem. Phys. 53 (1970) 626
2. Western C.M., Langridge-Smith P.R.R., and Howard B.J. Mol. Phys. 44 (1981) 145
3. Kukolich S.G. J. Am. Chem. Soc. 104 (1982) 4715
4. Casassa M.P., Stephenson J.C., and King D.S. J. Chem. Phys. 89 (1988) 1966
5. Howard B.J., and McKellar A.R.W. Mol. Phys. 78 (1993) 55
6. McKellar A.R.W., Watson J.K.G., and Howard B.J. Mol. Phys. 86 (1995) 273
7. Kukolich S.G., and Sickafoose S.M. Mol. Phys. 89 (1996) 1659
8. Wade E.A., Cline J.I., Lorenz K.T., Hayden C., and Chandler D.W. J. Chem. Phys. 116 (2002) 4755
9. Ha T.-K. Theor. Chim. Acta 58 (1981) 125
10. Szabo A., and Ostlund N.S. Modern Quantum Chemistry (1982), Macmillan, New York
11. Bartlett R.J. Ann. Rev. Phys. Chem. 32 (1981) 359
12. Lee T.J., Rice J.E., Scuseria G.E., and Schaefer III H.F. Theor. Chim. Acta 75 (1989) 81
13. Lee T.J., Rendell A.P., and Taylor P.R. J. Phys. Chem. 94 (1990) 5463
14. Raghavachari K., Trucks G.W., Pople J.A., and Head-Gordon M. Chem. Phys. Lett. 157 (1989) 479
15. Park J.K., and Sun H. Chem. Phys. 263 (2001) 61
16. Magers D.H., Qiong H., and Leszczyński J. Struct. Chem. 13 (2002) 165
17. Roos B.O., Taylor P.R., and Siegbahn P.E.M. Chem. Phys. 48 (1980) 157
18. González-Luque R., Merchán M., and Roos B.O. Theor. Chim. Acta 88 (1994) 425
19. Langhoff S.R., and Davidson E.R. Int. J. Quant. Chem. 8 (1974) 61
20. Gdanitz R.J., and Ahlrichs R. Chem. Phys. Lett. 143 (1988) 413
21. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 553
22. Sayós R., Valero R., Anglanda J.M., and González M. J. Chem. Phys. 112 (2000) 6608
23. Andersson K., Malmqvist P.-Å., Roos B.O., Sadlej A.J., and Wolinski K. J. Phys. Chem. 94 (1990) 5483
24. Tobita M., Perera S.A., Musial M., Bartlett R.J., Nooijen M., and Lee J.S. J. Chem. Phys. 119 (2003) 10713
25. Nooijen M., and Bartlett R.J. J. Chem. Phys. 106 (1997) 6441
26. Szalay P.G., and Bartlett R.J. Chem. Phys. Lett. 214 (1993) 481
27. East A.L.L. J. Chem. Phys. 109 (1998) 2185
28. Li Y., and Vo C.K. J. Chem. Phys. 125 (2006) 094303
29. Geßner O., et al. Science 311 (2006) 219
30. Levchenko S.V., Reisler H., Krylov A.I., Gessner O., Stlow A., Shi H., and East A.L.L. J. Chem. Phys. 125 (2006) 084301
31. Tanaka K., Sakai T., and Terashima H. Theor. Chim. Acta 76 (1989) 213
32. Tanaka K., Sakai T., and Mochizuki Y. In: Hirao K. (Ed). Recent Adbances in Multi-reference Methods (1999), World Scientific, Singapore references therein
33. Dunning Jr. T.H. J. Chem. Phys. 90 (1989) 1007
34. Kendall R.A., Dunning Jr. T.H., and Harrison R.J. J. Chem. Phys. 96 (1992) 6796
35. McLean A.D., Yoshimine M., Lengsfild B.H., Bagus P.S., and Liu B. In: Clementi E. (Ed). Modern Techniques in Computational Chemistry: MOTTECC-90 (1990), ESCOM Science, Netherland