References
- Adler , TB , Knizia , G and Werner , HJ . 2007 . J. Chem. Phys. , 127 : 221106
- Knizia , G , Adler , TB and Werner , HJ . 2009 . J. Chem. Phys. , 130 : 054104
- Hättig , C , Tew , DP and Köhn , A . 2010 . J. Chem. Phys. , 132 : 231102
- Rauhut , G , Knizia , G and Werner , HJ . 2009 . J. Chem. Phys. , 130 : 054105
- Marchetti , O and Werner , HJ . 2009 . J. Phys. Chem. A , 113 : 11580
- Werner , HJ , Knizia , G , Adler , TB and Marchetti , O . 2010 . Z. Phys. Chem. , 224 : 493
- H.J. Werner, T.B. Adler, G. Knizia and F.R. Manby, Efficient explicitly correlated coupled-cluster approximations, in Recent Progress in Coupled Cluster Methods, edited by P. Čársky, J. Paldus and J. Pittner (Springer, Dordrecht, 2010), p. 573
- D.P. Tew, C. Hättig, R.A. Bachorz and W. Klopper, Explicitly correlated coupled-cluster theory, in Recent Progress in Coupled Cluster Methods, edited by P. Čársky, J. Paldus and J. Pittner (Springer, Dordrecht, 2010), p. 535
- Werner , HJ , Knizia , G and Manby , FR . 2011 . Mol. Phys , 109 : 407
- Peterson , KA , Adler , TB and Werner , HJ . 2008 . J. Chem. Phys. , 128 : 084102
- Yousaf , KE and Peterson , KA . 2008 . J. Chem. Phys. , 129 : 184108
- Yousaf , KE and Peterson , KA . 2009 . Chem. Phys. Lett. , 476 : 303
- Hill , JG , Peterson , KA , Knizia , G and Werner , HJ . 2009 . J. Chem. Phys. , 131 : 194105
- Douglas , M and Kroll , N . 1974 . Ann. Phys. (New York) , 82 : 89
- Jansen , G and Hess , B . 1989 . Phys. Rev. A , 39 : 6016
- Bischoff , FA , Valeev , EF , Klopper , W and Janssen , CL . 2010 . J. Chem. Phys. , 132 : 214104
- Bischoff , FA , Höfener , S , Glöss , A and Klopper , W . 2008 . Theor. Chem. Acc. , 121 : 11
- Peterson , KA and Yousaf , KE . 2010 . J. Chem. Phys. , 133 : 174116
- Ten-no , S . 2004 . J. Chem. Phys. , 121 : 117
- Ten-no , S . 2004 . Chem. Phys. Lett. , 398 : 56
- Werner , HJ , Adler , TB and Manby , FR . 2007 . J. Chem. Phys. , 126 : 164102
- Knizia , G and Werner , HJ . 2008 . J. Chem. Phys. , 128 : 154103
- Klopper , W and Samson , CCM . 2002 . J. Chem. Phys. , 116 : 6397
- Tew , DP and Klopper , W . 2006 . J. Chem. Phys. , 125 : 094302
- H.J. Werner, P.J. Knowles, G. Knizia, F.R. Manby and M. Schütz, Comput. Mol. Sci. (published online July 21, 2011), DOI: 10.1002/wcms.82 (2011)
- H.J. Werner, P.J. Knowles, G. Knizia, F.R. Manby and M. Schütz et al., MOLPRO, version 2010.1, a package of ab initio programs, Cardiff, UK, 2011, see http://www.molpro.net
- Rittby , M and Bartlett , RJ . 1988 . J. Phys. Chem. , 92 : 3033
- Knowles , PJ , Hampel , C and Werner , HJ . 1993 . J. Chem. Phys. , 99 : 5219
- Watts , JD , Gauss , J and Bartlett , RJ . 1993 . J. Chem. Phys , 98 : 8718
- Deegan , MJO and Knowles , PJ . 1994 . Chem. Phys. Lett. , 227 : 321
- Dunning , T.H. Jr . 1989 . J. Chem. Phys. , 90 : 1007
- Kendall , RA , Dunning , T.H. Jr and Harrison , RJ . 1992 . J. Chem. Phys. , 96 : 6796
- Woon , DE and Dunning , T.H. Jr . 1993 . J. Chem. Phys. , 98 : 1358
- Dunning , T.H. Jr , Peterson , KA and Wilson , AK . 2001 . J. Chem. Phys. , 114 : 9244
- Peterson , KA . 2003 . J. Chem. Phys. , 119 : 11099
- Peterson , KA , Figgen , D , Goll , E , Stoll , H and Dolg , M . 2003 . J. Chem. Phys. , 119 : 11113
- Metz , B , Stoll , H and Dolg , M . 2000 . J. Chem. Phys. , 113 : 2563
- K.A. Peterson and J.G. Hill, in preparation (2011)
- Weigend , F , Köhn , A and Hättig , C . 2002 . J. Chem. Phys. , 116 : 3175
- Weigend , F . 2002 . Phys. Chem. Chem. Phys. , 4 : 4285
- Weigend , F . 2006 . Phys. Chem. Chem. Phys. , 8 : 1057
- Helgaker , T , Klopper , W , Koch , H and Noga , J . 1997 . J. Chem. Phys. , 106 : 9639
- Karton , A and Martin , J . 2006 . Theor. Chem. Acc. , 115 : 330
- Wilson , AK , Woon , DE , Peterson , KA and Dunning , T.H. Jr . 1999 . J. Chem. Phys. , 110 : 7667
- de Jong , WA , Harrison , RJ and Dixon , DA . 2001 . J. Chem. Phys. , 114 : 48
- Peterson , KA and Dunning , T.H. Jr . 2002 . J. Chem. Phys. , 117 : 10548
- Peterson , KA , Shepler , BC , Figgen , D and Stoll , H . 2006 . J. Phys. Chem. A , 110 : 13877
- Moore , C . 1971 . Atomic Energy Levels , Washington, D.C. : NSRDS-NBS 35, Office of Standard Reference Data, National Bureau of Standards .
- M. Kállay, MRCC, a string-based quantum chemical program suite 2001
- Kállay , M and Surján , PR . 2001 . J. Chem. Phys. , 115 : 2945
- Luo , Y.R. editor . 2007 . Comprehensive Handbook of Chemical Bond Energies , Boca Raton : CRC Press .
- Nataraj , HS , Kállay , M and Visscher , L . 2010 . J. Chem. Phys , 133 : 234109
- Drouin , BJ , Miller , CE , Müller , H and Cohen , EA . 2001 . J. Mol. Spectrosc. , 205 : 128
- Shim , I , Mandix , K and Gingerich , KA . 1991 . J. Phys. Chem. , 95 : 5435
- Himmel , HJ and Gaertner , B . 2004 . Chem. Eur. J. , 10 : 5936
- Focsa , C , Li , H and Bernath , PF . 2000 . J. Mol. Spectrosc. , 200 : 104
- Gerstenkorn , S and Luc , P . 1989 . J. Phys. (France) , 50 : 1417
- Kim , H , Dooley , KS , Johnson , ER and North , SW . 2006 . J. Chem. Phys. , 124 : 134304
- Huber , KP and Herzberg , G . 1979 . Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules , Princeton : Van Nostrand .
- Gurvich , LV , Veyts , IV and Alcock , C.B. editors . 1994 . Thermodynamic Properties of Individual Substances , Vol. 3 , Boca Raton : CRC Press .
- M.W. Chase Jr., NIST-JANAF Thermochemical Tables, J. Phys. Chem. Ref. Data Monograph 9, 4th ed. (NIST, Gaithersburg, MD, 1998)
- Bauschlicher , C.W. Jr . 1999 . Theor. Chem. Acc. , 101 : 421
- Nair , KPR , Schütze-Pahlmann , HU and Hoeft , J . 1981 . Chem. Phys. Lett. , 80 : 149
- Hoeft , J and Nair , KPR . 1986 . Z Phys D , 4 : 189
- O'Hare , PAG , Batana , A and Wahl , AC . 1973 . J. Chem. Phys. , 59 : 6495
- Glownia , JH , Gnass , DR , Walkup , RE , Ratzlaff , EH and Sorokin , PP . 1993 . J. Chem. Phys. , 99 : 1654
- Hoeft , J and Nair , KPR . 1993 . Chem. Phys. Lett. , 215 : 371
- Uehara , H , Horial , K , Nakagawa , K and Suguro , H . 1991 . Chem. Phys. Lett. , 178 : 553
- Tellinghuisen , J . 2003 . J. Phys. Chem. A , 107 : 753
- Kruse , H , Winter , R , Fink , E , Wildt , J and Zabel , F . 1984 . Chem. Phys. Lett. , 111 : 100
- Feller , D , Peterson , KA and Hill , JG . 2011 . J. Chem. Phys. , 135 : 044102