The X²Π and A²Σ⁺ states of FH⁺, ClH⁺ and BrH⁺: theoretical study of their g-factors and fine/hyperfine structures

References

• Huber , KP and Herzberg , G . 1979 . Molecular Spectra and Molecular Structure: IV, Constants of Diatomic Molecules , New York : Van Nostrand .
   Google Scholar
• Raftery , J and Richards , WG . 1972 . J. Phys. B , 5 : 425
   Web of Science ®Google Scholar
• Pradhan , AD and Kirby Dalgarno , KP . 1991 . J. chem. Phys. , 95 : 9009
   Web of Science ®Google Scholar
• Banichevich , A , Klotz , R and Peyerimhoff , SD . 1992 . Molec. Phys. , 75 : 173
   Web of Science ®Google Scholar
• Carrington , A , Levy , DH and Miller , TA . 1970 . Adv. Chem. Phys. , 18 : 149 A. Carrington. Microwave Spectroscopy of Free Radicals, Academic Press, London (1974)
   Google Scholar
• Hirota , E . 1985 . High Resolution Spectroscopy in Transient Molecules , New York : Springer .
   Google Scholar
• Weltner , W . 1983 . Magnetic Atoms and Molecules , New York : Dover .
   Google Scholar
• Brown , JM and Carrington , A . 2003 . Rotational Spectroscopy of Diatomic Molecules , Cambridge : Cambridge University Press .
   Google Scholar
• Brown , JM , Colbourn , EA , Watson , JKG and Wayne , FD . 1979 . J. molec. Spectrosc. , 74 : 294
   Web of Science ®Google Scholar
• Evenson , KM , Saykally , RJ , Jennings , DA , Curl , RF and Brown , JM . 1980 . Chemical and Biochemical Applications of Lasers , Edited by: Moore , CB . 95 New York : Academic Press .
   Google Scholar
• Veseth , L . 1976 . J. molec. Spectroc. , 63 : 80 ibid., 77, 195 (1977)
   Google Scholar
• Brown , JM , Kaise , M , Kerr , CML and Milton , DJ . 1978 . Molec. Phys. , 36 : 553
   Web of Science ®Google Scholar
• Radford , HE . 1961 . Phys. Rev. , 122 : 114 ibid., 126, 1035 (1962).
   Web of Science ®Google Scholar
• Frosch , RA and Foley , HM . 1952 . Phys. Rev. , 88 : 1337
   Web of Science ®Google Scholar
• Harriman , JE . 1978 . Theoretical Foundations of Electron Spin Resonance , New York : Academic Press .
   Google Scholar
• Gewurtz , S , Lew , H and Flainek , P . 1975 . Can. J. Phys. , 53 : 1097
   Web of Science ®Google Scholar
• Saenger , KL , Zare , RN and Mathews , CW . 1976 . J. molec. Spectrosc. , 61 : 216
   Web of Science ®Google Scholar
• Saykally , RJ and Evenson , KM . 1979 . Phys. Rev. Lett. , 43 : 515
   Web of Science ®Google Scholar
• Hovde , DC , Keim , ER and Saykally , RJ . 1989 . Molec. Phys. , 68 : 599
   Web of Science ®Google Scholar
• Coe , JV , Owrutsky , JC , Keim , ER , Agman , NV , Hovde , DC and Saykally , RJ . 1989 . J. chem. Phys. , 90 : 3893
   Web of Science ®Google Scholar
• Lubic , KG , Ray , D , Hovde , DC , Veseth , L and Saykally , RJ . 1989 . J. molec. Spectrosc. , 134 : 1
   Web of Science ®Google Scholar
• Lubic , KG , Ray , D , Hovde , DC , Veseth , L and Saykally , RJ . 1989 . J. molec. Spectrosc. , 134 : 21
   Web of Science ®Google Scholar
• Cosby , PC , Helm , H and Larzilliere , M . 1991 . J. chem. Phys. , 94 : 92
   Web of Science ®Google Scholar
• Chanda , A , Ho , WC , Dalby , FW and Ozier , I . 1995 . J. molec. Spectrosc. , 169 : 108
   Google Scholar
• Edvardsson , D , Baltzer , P , Karlsson , L , Lundqvist , M and Wannber , B . 1995 . Electron J Spectrosc. Relat. Phenom. , 73 : 105
   Web of Science ®Google Scholar
• Yencha , AJ , McConkey , AG , Dawber , G , Avaldi , L , MacDonald , MA , King , GC and Hall , RI . 1995 . Electron J Spectrosc. Relat. Phenom. , 73 : 217
   Web of Science ®Google Scholar
• Yencha , AJ , Cormack , AJ , Donovan , RJ , Hopkirk , A and King , GC . 1998 . Chem. Phys. , 238 : 109
   Web of Science ®Google Scholar
• Yencha , AJ , Cormack , AJ , Donovan , RJ , Lawley , KP , Hopkirk , A and King , GC . 1998 . Chem. Phys. , 238 : 133
   Web of Science ®Google Scholar
• Penno , M , Holzwarth , A and Weitzel , K-M . 1999 . Molec. Phys. , 97 : 43
   Web of Science ®Google Scholar
• Korolkov , MV , Weitzel , K-M and Peyerimhoff , SD . 2000 . Int. Mass J Spectrom. , 201 : 109
   Google Scholar
• Michel , M , Korolkov , MV and Weitzel , K-M . 2004 . J. phys. Chem. A , 108 : 9924
   Google Scholar
• Raftery , J and Richards , WG . 1973 . J. Phys. B , 6 : 1301
   Web of Science ®Google Scholar
• Martner , CC , Pfaff , J , Rosenbaum , NH , O’Keefe , A and Saykally , R . 1983 . J. chem. Phys. , 78 : 7073
   Web of Science ®Google Scholar
• Kristiansen , P and Veseth , L . 1986 . J. chem. Phys. , 84 : 6336
   Web of Science ®Google Scholar
• Carmichael , I . 1990 . J. phys. Chem. , 94 : 5734
   Google Scholar
• Gold , E , Hammersley , RE and Richards , WG . 1980 . Proc. R. Soc. London, Ser. A , 373 : 269
   Web of Science ®Google Scholar
• Wilson , IDL . 1978 . J. molec. Spectrosc. , 70 : 394
   Web of Science ®Google Scholar
• Hutson , JM and Cooper , DL . 1981 . J. chem. Phys. , 75 : 4502
   Web of Science ®Google Scholar
• Richards , WG , Trivedi , HP and Cooper , DL . 1981 . Spin–orbit Coupling in Molecules , Oxford : Clarendon Press .
   Google Scholar
• Bruna , PJ and Peyerimhoff , SD . 1987 . Adv. Chem. Phys. , 67 : 1
   Google Scholar
• Hess , BA , Marian , CM and Peyerimhoff , SD . 1995 . “ Ab initio calculation of spin–orbit effects in molecules including electron correlation ” . In Modern Electronic Structure Theory. Part I,Advanced Series in Physical Chemistry , Edited by: Yarkony , DR . Vol. 4 , 152 Singapore : World Scientific .
   Google Scholar
• Lushington , GH and Grein , F . 1996 . Theor. Chim. Acta , 93 : 259 ibid., J. chem. Phys., 106, 3292 (1997)
   Google Scholar
• Frisch , MJ . 2003 . GAUSSIAN03 (Rev. B.04) , Pittsburgh, PA : Gaussian, Inc . et al.
   Google Scholar
• Buenker , RJ , Peyerimhoff , SD and Butscher , W . 1978 . Molec. Phys. , 35 : 771 R.J. Buenker. In Studies in Physical and Theoretical Chemistry. Current Aspects of Quantum Chemistry, vol. 21, R. Carb (Ed.), p. 17, Elsevier, Amsterdam (1982).
   Web of Science ®Google Scholar
• Marian , CM . 1981 . Germany : University of Bonn . PhD thesis
   Google Scholar
• Hess , BA . 1981 . Germany : University of Bonn . PhD thesis
   Google Scholar
• Chandra , P and Buenker , RJ . 1983 . J. chem. Phys. , 79 : 358
   Web of Science ®Google Scholar
• Hess , BA and Marian , CM . 2000 . “ Relativistic effects in the calculation of electronic energies ” . In Computational Molecular Spectroscopy , Edited by: Jensen , P and Bunker , PR . 169 New York : Wiley .
   Google Scholar
• Luzanov , AV , Babich , EN and Ivanonv , VV . 1994 . J. molec. Struct. (Theochem) , 311 : 211
   Google Scholar
• Lushington , GH . 1996 . Canada : University of New Brunswick . PhD thesis
   Google Scholar
• Bondgen , P , Lushington , GH and Grein , F . 1995 . Int. J. quant. Chem. Symp. , 29 : 283
   Google Scholar
• Moore , CE . 1971 . Atomic Energy Levels , Washington : US Government Printing Office . NBS Circular No. 35
   Google Scholar
• Lefebvre-Brion , H and Field , RW . 2004 . The Spectra and Dynamics of Diatomic Molecules , Amsterdam : Elsevier .
   Google Scholar
• Blume , M and Watson , RE . 1962 . Proc. R. Soc. London, Ser. A , 270 : 127 ibid., 271, 565 (1963)
   Google Scholar
• Hess , BA , Chandra , P and Buenker , RJ . 1984 . Molec. Phys. , 52 : 1177 B.A. Hess, R.J. Buenker, P. Chandra. Int. J. quant. Chem., 29, 737 (1986); R. Samzow, B.A. Hess. Chem. Phys. Lett., 184, 491 (1991)
   Web of Science ®Google Scholar
• Bernath , PF and McLeod , S . 2001 . J. molec. Spectrosc. , 207 : 287 Available online at: http://diref.uwaterloo.ca
   PubMed Web of Science ®Google Scholar
• Kell , V and Sadlej , AJ . 1996 . Molec. Phys. , 89 : 127
   Google Scholar
• Biero , J , Pyykk , P , Sundholm , D , Kell , V and Sadlej , A . 2001 . Phys. Rev. A , 64 : 052507
   Google Scholar
• Lucken , EAC . 1969 . Nuclear Quadrupole Coupling Constants , London : Academic Press .
   Google Scholar
• Visscher , L , Enevoldsen , T , Saue , T and Oddershede , J . 1998 . J. chem. Phys. , 109 : 9677
   Web of Science ®Google Scholar
• van Lenthe , E and Baerends , EJ . 2000 . J. chem. Phys. , 112 : 8279
   Web of Science ®Google Scholar
• Malkina , I , Malkina , OL and Malkin , V . 2002 . Chem. Phys. Lett. , 361 : 231
   Google Scholar
• Neese , F , Wolf , A , Fleig , T , Reiher , M and Hess , BA . 2005 . J. chem. Phys. , 122 : 204107
   PubMed Web of Science ®Google Scholar
• Kolker , HJ and Karplus , M . 1962 . J. chem. Phys. , 36 : 960
   Web of Science ®Google Scholar
• Saykally , RJ and Evenson , KM . 1979 . Phys. Rev. Lett. , 43 : 515
   Web of Science ®Google Scholar
• Engels , B , Eriksson , LA and Lunell , S . 1996 . Adv. Chem. Phys. , 27 : 298
   Google Scholar
• Hirota , E . 1983 . J. phys. Chem. , 87 : 3375
   Google Scholar
• Langhoff , SR , Sink , ML , Pritchard , RH and Kern , CW . 1982 . J. molec. Spectrosc. , 96 : 200
   Web of Science ®Google Scholar
• Langhoff , SR and Partridge , H . 1984 . J. molec. Spectrosc. , 105 : 261
   Web of Science ®Google Scholar
• de Vivie , R , Marian , CM and Peyerimhoff , SD . 1988 . Molec. Phys. , 63 : 3
   Web of Science ®Google Scholar
• Curl , RF . 1965 . Molec. Phys. , 5 : 585
   Google Scholar
• Brown , JM and Watson , JKG . 1977 . J. molec. Spectrosc. , 65 : 65
   Web of Science ®Google Scholar
• Green , S and Zare , RN . 1977 . J. molec. Spectrosc. , 64 : 217
   Web of Science ®Google Scholar