Ab initio ro-vibrational Hamiltonian in irreducible tensor formalism: a method for computing energy levels from potential energy surfaces for symmetric-top molecules

References

• Boudon , V , Doménech , JL , Ramos , A , Bermejo , D and Willner , H . 2006 . Mol. Phys. , 104 : 2653
   Web of Science ®Google Scholar
• Boudon , V , Radhouani , D , Loëte , M , Martínez , RZ and Bermejo , D . 2007 . J. Raman Spectrosc. , 38 : 5593
   Web of Science ®Google Scholar
• Niederer , H-M , Albert , S , Bauerecker , S , Boudon , V , Champion , J-P and Quack , M . 2008 . Chimia , 62 : 273
   Web of Science ®Google Scholar
• Albert , S , Bauerecker , S , Boudon , V , Brown , LR , Champion , J-P , Loëte , M , Nikitin , A and Quack , M . 2009 . Chem. Phys. , 356 : 131
   Web of Science ®Google Scholar
• Nikitin , A , Brown , LR , Féjard , L , Champion , JP and Tyuterev , VlG . 2002 . J. Mol. Spectrosc. , 216 : 225
   Web of Science ®Google Scholar
• Nikitin , A , Chris Benner , D , Malathy Devi , V , Smith , MAH , Féjard , L , Champion , J-P , Tyuterev , VlG and Sams , RL . 2004 . J. Mol. Structure , 695–696 : 181
   Web of Science ®Google Scholar
• Nikitin , AV , Champion , J-P and Brown , LR . 2004 . J. Mol. Spectrosc. , 240 : 14
   Web of Science ®Google Scholar
• Nikitin , A and Champion , J-P . 2005 . J. Mol. Spectrosc. , 230 : 168
   Web of Science ®Google Scholar
• Nikitin , A , Champion , J-P and Bürger , H . 2005 . J. Mol. Spectrosc. , 230 : 174
   Web of Science ®Google Scholar
• Nikitin , AV , Champion , J-P , Butler , RAH , Brown , LR and Kleiner , I . 2009 . J. Mol. Spectrosc. , 256 : 4
   Web of Science ®Google Scholar
• Champion , J-P , Loëte , M and Pierre , G . 1992 . Spherical Top Spectra , Edited by: Rao , KN and Weber , A . San Diago : Academic Press .
   Google Scholar
• Boudon , V , Champion , J-P , Gabard , T , Loëte , M , Michelot , F , Pierre , G , Rotger , M , Wenger , Ch and Rey , M . 2004 . J. Mol. Spectrosc. , 228 : 620
   Web of Science ®Google Scholar
• Boudon , V , Rotger , M , Zvereva-Loëte , N and Loëte , M . 2006 . J. Mol. Structure , 114 ( 780-781 ) : 124
   Web of Science ®Google Scholar
• Nikitin , AV , Champion , J-P and Tyuterev , VlG . 1997 . J. Mol. Spectrosc. , 182 : 72
   Web of Science ®Google Scholar
• Rey , M , Boudon , V and Loëte , M . 2001 . J. Mol. Structure , 599 : 125
   Web of Science ®Google Scholar
• Rey , M , Boudon , V , Loëte , M , Asselin , P , Soulard , P and Manceron , L . 2001 . J. Chem. Phys. , 114 ( 24 ) : 10773
   Web of Science ®Google Scholar
• El Hilali , A , Boudon , V and Loëte , M . 2006 . J. Mol. Spectrosc. , 114 ( 239 ) : 41
   Web of Science ®Google Scholar
• Sutcliffe , BT . 1982 . Current Aspects of Quantum Chemistry , Edited by: Carbo , R . Amsterdam : Elsevier .
   Google Scholar
• Carter , S and Handy , NC . 1986 . Mol. Phys. , 57 : 175
   Web of Science ®Google Scholar
• Wilson , EB , Decius , JC and Cross , PC . 1955 . Molecular Vibrations , New-York : McGraw-Hill .
   Google Scholar
• Watson , JKG . 1968 . Mol. Phys. , 15 : 479
   Web of Science ®Google Scholar
• Romanowski , H , Bowman , JM and Harding , L . 1985 . J. Chem. Phys. , 82 : 4155
   Web of Science ®Google Scholar
• Carter , S , Culik , SJ and Bowman , JM . 1997 . J. Chem. Phys. , 107 : 10458
   Web of Science ®Google Scholar
• Hedberg , L and Mills , IM . 2000 . J. Mol. Spectrosc. , 203 : 82
   PubMed Web of Science ®Google Scholar
• Bégué , D , Gohaud , N , Pouchan , C , Cassam-Chenai , P and Liévin , J . 2007 . J. Chem. Phys. , 127 : 164115
   PubMed Web of Science ®Google Scholar
• Carter , S and Handy , NC . 1982 . Mol. Phys. , 47 : 1445
   Web of Science ®Google Scholar
• Lukka , TJ . 1995 . J. Chem. Phys. , 102 : 3945
   Web of Science ®Google Scholar
• Schwenke , DW . 2003 . J. Chem. Phys. , 118 : 10431
   Web of Science ®Google Scholar
• Pesonen , J . 2001 . J. Chem. Phys. , 114 : 10598
   Web of Science ®Google Scholar
• Chapuisat , X , Nauts , A and Durand , G . 1981 . Chem. Phys. , 56 : 91
   Web of Science ®Google Scholar
• Xie , J and Tennyson , J . 2002 . Mol. Phys. , 100 : 1623
   Web of Science ®Google Scholar
• Sutcliffe , BT and Tennyson , J . 1986 . Mol. Phys. , 58 : 1053
   Web of Science ®Google Scholar
• Colwell , SM , Carter , S and Handy , NC . 2003 . Mol. Phys. , 101 : 523
   Web of Science ®Google Scholar
• Wei , H and Carrington , T . 1997 . J. Chem. Phys. , 107 : 9493
   Web of Science ®Google Scholar
• Wei , H . 2003 . J. Chem. Phys. , 118 : 7208
   Web of Science ®Google Scholar
• Gatti , F and Iung , C . 2009 . Phys. Reports , 484 : 1
   Web of Science ®Google Scholar
• Jensen , P . 1988 . J. Chem. Soc. Faraday Tans. , 84 ( 9 ) : 1315
   Google Scholar
• Wang , X-G and Carrington , T . 2003 . J. Chem. Phys. , 119 : 101
   Web of Science ®Google Scholar
• Tennyson , J , Kostin , MA , Barletta , P , Harris , GJ , Polyansky , OL , Ramanlal , J and Zobov , NF . 2004 . Comput. Phys. Comm. , 163 : 85
   Web of Science ®Google Scholar
• Wang , X-G and Carrington , T . 2009 . J. Chem. Phys. , 130 : 094101
   PubMed Web of Science ®Google Scholar
• Yurchenko , SN , Thiel , W and Jensen , P . 2007 . J. Mol. Spectrosc. , 245 : 126
   Web of Science ®Google Scholar
• Meyer , H-D , Manthe , U and Cederbaum , LS . 1990 . Chem. Phys. Lett. , 165 : 73
   Web of Science ®Google Scholar
• Meyer , H-D , Gatti , F and Worth , GA . 2009 . Multidimensional Quantum Dynamics , Weinheim : Wiley-VCH Verlag .
   Google Scholar
• Yurchenko , SN , Thiel , W , Patchkovskii , S and Jensen , P . 2007 . Phys. Chem. Chem. Phys. , 7 : 573
   Web of Science ®Google Scholar
• Butler , RAH , Sagui , L , Kleiner , I and Brown , LR . 2006 . J. Mol. Spectrosc. , 238 : 178
   Web of Science ®Google Scholar
• Yurchenko , SN , Carvajal , M , Jensen , P , Herregodts , F and Huet , TR . 2003 . Chem. Phys. , 290 : 59
   Web of Science ®Google Scholar
• Ovsyannikov , RI , Thiel , W , Yurchenko , SN , Carvajal , M and Jensen , P . 2008 . J. Chem. Phys. , 129 : 044309
   PubMed Web of Science ®Google Scholar
• Nikitin , AV , Holka , F , Tyuterev , VlG and Fremont , J . 2009 . J. Chem. Phys. , 130 : 244312
   PubMed Web of Science ®Google Scholar
• Eckart , C . 1935 . Phys. Rev. , 47 : 552
   Google Scholar
• Bunker , PR and Jensen , P . 1998 . Molecular Symmetry and Spectroscopy , Ottawa : NRC-CNRC .
   Google Scholar
• Aliev , MR and Watson , JKG . 1985 . Molecular Spectroscopy: Modern Research , Vol III , New York : Academic Press .
   Google Scholar
• Hoy , AR , Mills , IM and Strey , G . 1972 . Mol. Phys. , 24 : 1265
   Web of Science ®Google Scholar
• Wang , D , Shi , Q and Zhu , Q-Q . 2000 . J. Chem. Phys. , 112 : 9624
   Web of Science ®Google Scholar
• Wilson , EB and Howard , JB . 1936 . J. Chem. Phys. , 4 : 260
   Web of Science ®Google Scholar
• Darling , BT and Dennison , DM . 1940 . Phys. Rev. , 57 : 128
   Google Scholar
• Louck , JD . 1976 . J. Mol. Spectrosc. , 61 : 107
   Web of Science ®Google Scholar
• Scivetti , I , Kohanoff , J and Gidopoulos , N . 2009 . Phys. Rev. A , 80 : 022516
   Web of Science ®Google Scholar
• Duncan , JL and Mills , IM . 1964 . Spectroschimica Acta , 20 : 523
   Web of Science ®Google Scholar
• Kijima , K and Tanaka , T . 1981 . J. Mol. Spectrosc. , 89 : 62
   Web of Science ®Google Scholar
• Xin , Z-Z , Duan , Y-B , Zhang , H-M , Hirayama , M and Matumoto , K-I . 1996 . J. Phys. B , 29 : 4496
   Google Scholar
• Rey , M , Michelot , F and Tyuterev , VlG . 2008 . Phys. Rev. A , 78 : 022511
   Web of Science ®Google Scholar
• Makushkin , YuS and Tyuterev , VlG . 1984 . Perturbation Methods and Effective Hamiltonians in Molecular Spectroscopy , Novosibirsk : Nauka . in Russian
   Google Scholar
• Tyuterev , VlG , Tashkun , SA and Seghir , H . 2004 . SPIE Proceedings Bellingham USA , 5311 : 165
   Google Scholar
• Zhilinskii , BI . 2001 . Phys. Reports , 341 : 85
   Web of Science ®Google Scholar
• Nikitin , AV , Champion , J-P and Tyuterev , VlG . 2003 . J. Quant. Spectrosc. Rad. Transfer , 82 : 239
   Web of Science ®Google Scholar
• Moret-Bailly , J . 1961 . Cah. Phys. , 15 : 237
   Google Scholar
• Zhilinskii , BI . 1981 . Opt. Spectrosc. , 51 : 262
   Google Scholar
• Wybourne , BG . 1974 . Classical Lie Groups for Physicists , New-York : Wiley-Interscience .
   Google Scholar
• Iachello , F and Levine , RD . 1995 . Algebraic Theory of Molecules , New-York : Oxford University Press .
   Google Scholar
• Michelot , F and Rey , M . 2004 . Eur. Phys. J. D , 30 : 181
   Web of Science ®Google Scholar
• Tarrago , G , Lacome , N , Lévy , A , Guelachvili , G , Bézard , B and Drossart , P . 1992 . J. Mol. Spectrosc. , 154 : 30
   Web of Science ®Google Scholar
• Canè , E , Fusina , L , Bürger , H , Jerzembeck , W , Brünken , S , Lewen , F and Winnewisser , G . 2002 . J. Mol. Spectrosc. , 215 : 1
   Web of Science ®Google Scholar
• Rey , M , Nikitin , A , Taskun , S , Kochanov , R and Tyuterev , VlG . 2010 . presented at the PAMO-JSM Colloquium , Orsay : Dulieu .
   Google Scholar
• Zhilinskii , BI , Perevalov , VI and Tyuterev , VlG . 1987 . Method of Irreducible Tensorial Operators in the Theory of Molecular Spectra , Nauka : Novosibirsk .
   Google Scholar