References
- Cazzoli , G , Puzzarini , C and Gauss , J . 2010 . J. Mol. Spectrosc. , 259 : 93
- Jameson , CJ . 1991 . Chem. Rev. , 91 : 1375
- Sharbaugh , AH . 1948 . Phys. Rev. , 74 : 1870
- Kewley , R , McKinney , PM and Robiette , AG . 1970 . J. Mol. Spectrosc. , 34 : 390
- Demaison , J , [Sbreve]ormova , H , Bürger , H , Margulés , L , Constantin , FL and Ceausu-Velcescu , A . 2005 . J. Mol. Spectrosc. , 232 : 323
- Barrett , D and Carpenter , JH . 1984 . J. Mol. Spectrosc. , 107 : 153
- Shavitt , I and Bartlett , RJ . 2009 . Many-Body Methods in Chemistry and Physics: MBPT and Coupled-Cluster Theory , Cambridge : Cambridge University Press .
- Costain , CC . 1969 . Can. J. Phys. , 47 : 2431
- Winton , RS and Gordy , W . 1970 . Phys. Lett. A , 32 : 219
- Cazzoli , G and Dore , L . 1990 . J. Mol. Spectrosc. , 143 : 231
- Dore , L , Degli Esposti , C , Mazzavillani , A and Cazzoli , G . 1999 . Chem. Phys. Lett. , 300 : 489
- Cazzoli , G and Dore , L . 1990 . J. Mol. Spectrosc. , 141 : 49
- Colmont , J-M , Bakri , B , Rohart , F , Wlodarczak , G , Demaison , J , Cazzoli , G , Dore , L and Puzzarini , C . 2005 . J. Mol. Spectrosc. , 231 : 171
- Cazzoli , G , Dore , L , Puzzarini , C and Beninati , S . 2002 . Phys. Chem. Chem. Phys. , 4 : 3575
- Cazzoli , G , Puzzarini , C and Lapinov , AV . 2003 . Astrophys. J. , 592 : L95
- Dore , L . 2003 . J. Mol. Spectrosc. , 221 : 93
- Raghavachari , K , Trucks , GW , Pople , JA and Head-Gordon , M . 1989 . Chem. Phys. Lett. , 157 : 479
- Dunning , TH Jr . 1989 . J. Chem. Phys. , 90 : 1007
- Woon , DE and Dunning , TH Jr . 1993 . J. Chem. Phys. , 98 : 1358
- Woon , DE and Dunning , TH Jr . 1995 . J. Chem. Phys. , 103 : 4572
- Wilson , AK , van Mourik , T and Dunning , TH Jr . 1996 . J. Mol. Struct.: THEOCHEM , 388 : 339
- Peterson , K and Dunning , TH Jr . 2002 . J. Chem. Phys. , 117 : 10548
- Noga , J and Bartlett , RJ . J. Chem. Phys. , 86 7041 (1987) G.E. Scuseria and H.F. Schaefer III, Chem. Phys. Lett. 132, 382 (1988); J.D. Watts and R.J. Bartlett, J. Chem. Phys. 93, 6104 (1993)
- Bomble , YJ , Stanton , JF , Kállay , M and Gauss , J . 2005 . J. Chem. Phys. , 123 : 054101
- Møller , C and Plesset , MS . 1934 . Phys. Rev. , 46 : 618
- CFOUR, a quantum chemical program package written by J. F. Stanton, J. Gauss, M.E. Harding, P.G. Szalay with contributions from A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, Y. J. Bomble, L. Cheng, O. Christiansen, M. Heckert, O. Heun, C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, K. Klein, W.J. Lauderdale, D.A. Matthews, T. Metzroth, L.A. Mück, D.P. O'Neill, D.R. Price, E. Prochnow, C. Puzzarini, K. Ruud, F. Schiffmann, W. Schwalbach, S. Stopkowicz, A. Tajti, J. Vázquez, F. Wang, J.D. Watts and the integral packages MOLECULE (J. Almlöf and P.R. Taylor), PROPS (P.R. Taylor), ABACUS (T. Helgaker, H.J.Aa. Jensen, P. Jørgensen, and J. Olsen), and ECP routines by A.V. Mitin and C. van Wüllen. For the current version, see <http://www.cfour.de>
- Kállay , M . MRCC, a generalized CC/CI program. <http://www.mrcc.hu>
- Heckert , M , Kállay , M and Gauss , J . 2005 . Mol. Phys. , 103 : 2109
- Heckert , M , Kállay , M , Tew , DP , Klopper , W and Gauss , J . 2006 . J. Chem. Phys. , 125 : 044108
- Pulay , P , Meyer , W and Boggs , JE . 1978 . J. Chem. Phys. , 68 : 5077
- Feller , D . 1993 . J. Chem. Phys. , 98 : 7059
- Helgaker , T , Klopper , W , Koch , H and Noga , J . 1997 . J. Chem. Phys. , 106 : 9639
- Kutzelnigg , W . 2002 . Relativistic Electronic Structure Theory. Part I. Fundamentals , Edited by: Schwerdtfeger , P . Amsterdam : Elsevier .
- Berger , C and Gauss , J . to be published
- Scuseria , GE . 1993 . J. Chem. Phys. , 94 : 442 (1991); J.D. Watts, J. Gauss, and R.J. Bartlett, J. Chem. Phys. 98, 8718
- Gauss , J and Stanton , JF . 2002 . J. Chem. Phys. , 116 : 1773
- Mills , IM . 1972 . Molecular Spectroscopy: Modern Research , Edited by: Rao , KN and Mathews , CW . New York : Academic Press .
- Puzzarini , C , Cazzoli , G , López , JC , Alonso , JL , Baldacci , A , Baldan , A , Stopkowicz , S , Cheng , L and Gauss , J . J. Chem. Phys., submitted
- Gordy , W and Cook , RL . 1984 . Microwave Molecular Spectra , 3rd , Edited by: Weissberger , A . New York : Wiley .
- Gauss , J and Stanton , JF . 1997 . Chem. Phys. Lett. , 276 : 70
- Thiel , W , Scuseria , G , Schaefer , HF and Allen , WD . 1988 . J. Chem. Phys. , 89 : 4965
- Schneider , W and Thiel , W . 1989 . Chem. Phys. Lett. , 157 : 367
- Stanton , JF , Lopreore , CL and Gauss , J . 1998 . J. Chem. Phys. , 108 : 7190
- Stanton , JF and Gauss , J . 2000 . Int. Rev. Phys. Chem. , 19 : 61
- Flygare , WH . 1974 . Chem. Rev. , 74 : 653
- Puzzarini , C , Heckert , M and Gauss , J . 2008 . J. Chem. Phys. , 128 : 194108
- Kendall , RA , Dunning , TH Jr and Harrison , RJ . 1992 . J. Chem. Phys. , 96 : 6796
- Gauss , J , Ruud , K and Helgaker , T . 1996 . J. Chem. Phys. , 105 : 2804
- Gauss , J , Ruud , K and Kállay , M . 2007 . J. Chem. Phys. , 127 : 074101
- Puzzarini , C , Stanton , JF and Gauss , J . 2010 . Int. Rev. Phys. Chem. , 29 : 273
- Townes , CH and Schawlow , AL . 1955 . Microwave Spectroscopy , New York : McGraw-Hill .
- Lucken , EAC . 1969 . Nuclear Quadrupole Coupling Constants , London/New York : Academic Press .
- Watts , JD , Gauss , J and Bartlett , RJ . 1992 . Chem. Phys. Lett. , 200 : 1
- Pyykkö , P . 2008 . Mol. Phys. , 106 : 1965
- Flygare , WH . 1964 . J. Chem. Phys. , 41 : 793
- Gauss , J and Stanton , JF . 1996 . J. Chem. Phys. , 104 : 2574
- Kállay , M and Gauss , J . 2004 . J. Chem. Phys. , 120 : 6841
- Abragam , A . 1961 . Principles of Nuclear Magnetism , New York : Oxford University Press .
- Schmidt-Rohr , K and Spiess , HW . 1994 . Multidimensional Solid State NMR and Polymers , New York : Academic Press .
- Auer , AA , Gauss , J and Stanton , JF . 2003 . J. Chem. Phys. , 118 : 10407
- Pickett , HM . 1991 . J. Mol. Spectrosc. , 148 : 371
- Pickett , HM . SPFIT/SPCAT package. <http://spec.jpl.nasa.gov>
- Puzzarini , C , Coriani , S , Rizzo , A and Gauss , J . 2005 . Chem. Phys. Lett. , 409 : 118
- Cazzoli , G , Puzzarini , C , Stopkowicz , S and Gauss , J . 2008 . Mol. Phys. , 106 : 1181
- Puzzarini , C , Cazzoli , G , Harding , ME , Vázquez , J and Gauss , J . 2009 . J. Chem. Phys. , 131 : 234304
- Duncan , JL , Harvie , JL , McKean , DC and Cradock , S . 1986 . J. Mol. Struct. , 145 : 225
- Coriani , S , Marchesan , D , Gauss , J , Hättig , C , Helgaker , T and Jørgensen , P . 2005 . J. Chem. Phys. , 123 : 184107
- Pawłowski , F , Jørgensen , P , Olsen , J , Hegelund , F , Helgaker , T , Gauss , J , Bak , KL and Stanton , JF . 2002 . J. Chem. Phys. , 116 : 6482
- Bürger , H and Rahner , A . 1990 . Vibrational Spectra and Structure , Edited by: Durig , JR . Vol. 18 , 217 Amsterdam : Elsevier .
- Ceausu-Velcescu , A , Bürger , H and Demaison , J . 2005 . J. Mol. Spectrosc. , 233 : 110
- Mkadmi , EB and Bürger , H . 2005 . Spectrochim. Acta Part A , 61 : 1559
- Puzzarini , C , Cazzoli , G and Gauss , J . 2010 . J. Mol. Spectrosc. , 262 : 37