Modeling of vibrational energy levels of methane from the Ab initio constructed potential energy surface

Optics and Spectroscopy (English translation of Optika i Spektroskopiya)

Volumn 106, Issue 2, 2009, Pages 176-182

  Nikitin, A V ^a  

^a V E ZUEV INSTITUTE OF ATMOSPHERIC OPTICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

METHANE; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

AB-INITIO; BASIS SETS; CCSD; FORCE FIELDS; GROUND ELECTRONIC STATE; METHANE MOLECULES; VIBRATIONAL ENERGY LEVELS;

POTENTIAL ENERGY;

EID: 62349129175     PISSN: 0030400X     EISSN: 15626911     Source Type: Journal    
DOI: 10.1134/S0030400X09020052     Document Type: Article

References (15)

1. D. W. Schwenke H. Partidge 2001 Spectrochim. Acta, Part A 57 887
2. D. W. Schwenke 2002 Spectochim. Acta. A 58 849
3. X.-G. Wang T. Carrington 2003 J. Chem. Phys. 118 6260
4. X.-G. Wang T. Carrington 2003 J. Chem. Phys. 119 101
5. C. Oyanagi, K. Yagi, T. Taketsugu, and K. Hirao, J. Chem. Phys. 124, 64311 (2006).
6. C. Wenger J.-P. Champion 1998 J. Quant. Spectrosc. Radiat. Transfer 59 471
7. J.-C. Hilico O. Robert M. Loete 2001 J. Mol. Spectrosc. 208 1
8. R. Georges M. Herman J.-C. Hilico O. Robert 1998 J. Mol. Spectrosc. 187 13
9. S. Albert, S. Bauerecker, V. Boudon, et al., Chem. Phys. (2009).
10. D. L. Gray A. G. Robiette 1979 Mol. Phys. 37 6 1901
11. M. J. Frish, G. W. Trucks, H. B. Schlegel, et al., Gaussian 94 (Gaussian, Pittsburgh, 1995).
12. M. Mladenovic 2000 J. Chem. Phys. 112 1070
13. A. V. Nikitin 2002 Opt. Atm. Okeana 15 9 797
14. A. V. Nikitin J. P. Champion V. G. Tyuterev 1997 J. Mol. Spectr. 182 72
15. A. V. Nikitin 2007 Opt. Atm. Okeana 20 9 776