Inversion levels of H₃O⁺ as a probe for the basis set convergence in traditional and explicitly correlated coupled-cluster calculations

References

• Helgaker T Jørgensen P Olsen J 2000 Molecular Electronic-Structure Theory Chichester Wiley
   Google Scholar
• Pawlowski , F , Halkier , A , Jørgensen , P , Bak , KL , Helgaker , T and Klopper , W . 2003 . J. chem. Phys. , 118 : 2539
   Web of Science ®Google Scholar
• Noga J Valiron P 2002 Computational Chemistry: Reviews of Current Trends 7 edited by J. Leszcynski Singapore World Scientific p. 131
   Google Scholar
• Noga , J , Valiron , P and Klopper , W . 2001 . J. chem. Phys. , 115 : 2022
   Web of Science ®Google Scholar
• Hoy , AR , Mills , IM and Strey , G . 1972 . Molec. Phys. , 24 : 1265
   Web of Science ®Google Scholar
• Aarset , K , Császár , AG , Sibert III , EL , Allen , WD , Schaefer III , HF , Klopper , W and Noga , J . 2000 . J. chem. Phys. , 112 : 4053
   Web of Science ®Google Scholar
• Noga , J and Kutzelnigg , W . 1994 . J. chem. Phys. , 101 : 7738
   Web of Science ®Google Scholar
• Noga J Klopper W Kutzelnigg W 1997 Recent Advances in Computational Chemistry 3 edited by R. J. Bartlett Singapore World Scientific p. 1
   Google Scholar
• Klopper W Noga J 2003 Progress in Theoretical Chemistry and Physics: Explicitly Correlated Wave Functions in Chemistry and Physics 13 edited by J. Rychlewski Dordrecht Kluwer Academic Publisher p. 149
   Google Scholar
• Schwartz , C . 1962 . Phys. Rev. , 126 : 1015
   Web of Science ®Google Scholar
• Kutzelnigg , W and Morgan III , JD . 1992 . J. chem. Phys. , 96 : 4484
   Web of Science ®Google Scholar
• Klopper W 1998 The Encyclopedia of Computational Chemistry edited by P. V. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III and P. R. Schreiner Chichester Wiley p. 2351
   Google Scholar
• Rychlewski J (ed.) 2003 Progress in Theoretical Chemistry and Physics: Explicitly Correlated Wave Functions in Chemistry and Physics 13 Dordrecht Kluwer Academic Publisher
   Google Scholar
• Kutzelnigg , W . 1985 . Theor. Chim. Acta , 68 : 445
   Google Scholar
• Hill , RN . 1985 . J. chem. Phys. , 83 : 1173
   Web of Science ®Google Scholar
• Noga , J and Valiron , P . 2000 . Chem. Phys. Lett. , 324 : 166
   Web of Science ®Google Scholar
• DIRCCR12-OS Release 1.1 2003 a direct AO integral driven CCSD(T)-R12 computer program written by J. Noga, W. Klopper, T. Helgaker and P. Valiron. For free distribution see: www-laog.obs.ujf-grenoble.fr/~valiron/ccr12
   Google Scholar
• Rajamäki , T , Miani , A and Halonen , L . 2002 . Chem. Phys. Lett. , 363 : 226
   Web of Science ®Google Scholar
• Rajamäki , T , Miani , A and Halonen , L . 2003 . J. chem. Phys. , 118 : 6358
   Web of Science ®Google Scholar
• Rajamäki , T , Miani , A and Halonen , L . 2003 . J. chem. Phys. , 118 : 10929
   Web of Science ®Google Scholar
• Dunning , TH Jr . 1989 . J. chem. Phys. , 90 : 1007
   Web of Science ®Google Scholar
• Dunning TH Jr Peterson KA Woon DE 1998 The Encyclopedia of Computational Chemistry edited by P. V. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III and P. R. Schreiner Chichester Wiley
   Google Scholar
• Douglas , M and Kroll , NM . 1974 . Ann. Phys. , 82 : 89
   Web of Science ®Google Scholar
• Noga J Valiron P 2004 Molec. Phys submitted for publication
   Google Scholar
• Valiron , P , Kedzuch , S and Noga , J . 2003 . Chem. Phys. Lett. , 367 : 723
   Web of Science ®Google Scholar
• Partridge , H . 1989 . J. chem. Phys. , 90 : 1043
   Web of Science ®Google Scholar
• Noga , J and Valiron , P . 2003 . Collect. Czech. Chem. Commun. , 68 : 340
   Google Scholar
• Molpro, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, version 2002.6 (2003) with contributions from R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson and H.-J. Werner
   Google Scholar
• Halkier , A , Helgaker , T , Jørgensen , P , Klopper , W and Olsen , J . 1999 . Chem. Phys. Lett. , 302 : 437
   Web of Science ®Google Scholar
• Klopper , W , Bak , KL , Jørgensen , P , Olsen , J and Helgaker , T . 1999 . J. Phys. B: at. molec. opt. Phys. , 32 : R103
   Web of Science ®Google Scholar
• Bak , KL , Halkier , A , Jørgensen , P , Olsen , J , Helgaker , T and Klopper , W . 2001 . J. molec. Struct. , 567–568 : 375
   Web of Science ®Google Scholar
• Handy , NC , Yamaguchi , Y and Schaefer III , HF . 1986 . J. chem. Phys. , 84 : 4481
   Web of Science ®Google Scholar
• Crawford TD Sherrill CD Valeev EF Fermann JT King RA Leininger ML Brown ST Jansen CL Seidl ET Kenny JP Allen WD 2003 PSI 3.2
   Google Scholar
• Mayer , I . 1998 . Int. J. quantum Chem. , 70 : 41
   Web of Science ®Google Scholar
• Jensen , K . 1996 . Chem. Phys. Lett. , 261 : 633
   Web of Science ®Google Scholar
• Senent , ML and Wilson , S . 1996 . Chem. Phys. Lett. , 261 : 633
   Web of Science ®Google Scholar
• Klopper , W , Samson , CCM , Tarczay , G and Császár , AG . 2001 . J. comput. Chem. , 22 : 1306
   Web of Science ®Google Scholar
• Varandas , AJC . 2000 . J. chem. Phys. , 113 : 8880
   Web of Science ®Google Scholar