Calculation of rovibronic intensities for triatomic molecules in double-Renner-degenerate electronic states: Application to the X̃ A 2 ″ and à A2 ′ electronic states of HO2

Journal of Chemical Physics

Volumn 130, Issue 22, 2009, Pages

  Melnikov, Vladlen V ^a,c   Jensen, Per ^a   Hirano, Tsuneo ^b,d  

^a UNIVERSITY OF WUPPERTAL   (Germany)

^b OCHANOMIZU UNIVERSITY   (Japan)

^c TOMSK STATE UNIVERSITY   (Russian Federation)

^d NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; COMPUTER PROGRAM; DEGENERATE ELECTRONIC STATE; ELECTRIC DIPOLE MOMENT FUNCTIONS; ELECTRIC DIPOLE TRANSITION; SPECTRUM SIMULATION; THEORETICAL SIMULATION; TRIATOMIC MOLECULES;

ABSORPTION SPECTROSCOPY; ELECTRIC DIPOLE MOMENTS; POTENTIAL ENERGY FUNCTIONS;

ELECTRONIC STATES;

EID: 67549103961     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3139916     Document Type: Article

References (13)

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7. P. Jensen, J. Mol. Spectrosc. 0022-2852 132, 429 (1988). 10.1016/0022-2852(88)90338-4
8. D. Papoušek and M. R. Aliev, Molecular Rotational-Vibrational Spectra (Elsevier, Amsterdam, 1982).
9. MOLPRO, a package of ab initio programs designed by H. -J. Werner and P. J. Knowles, Version 2002.6, R. D. Amos, A. Bernhardsson, A. Berning
10. G. Osmann, P. R. Bunker, P. Jensen, R. J. Buenker, J. -P. Gu, and G. Hirsch, J. Mol. Spectrosc. 0022-2852 197, 262 (1999). 10.1006/jmsp.1999.7919
11. See EPAPS Document No. E-JCPSA6-130-051921 for a FORTRAN90 routine that calculates values of the HO2 dipole and transition moment functions μy ( - ), μy (++), μz ( - ), μz (++), and μx (-+) in Eqs.. For more information on EPAPS, see http://www.aip.org/pubservs/epaps.html.
12. P. Jensen, R. J. Buenker, J. -P. Gu, G. Osmann, and P. R. Bunker, Can. J. Phys. 0008-4204 79, 641 (2001). 10.1139/cjp-79-2-3-641
13. E. H. Fink and D. A. Ramsay, J. Mol. Spectrosc. 0022-2852 185, 304 (1997). 10.1006/jmsp.1997.7401