Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 104, 2006 - Issue 18
436
Views
111
CrossRef citations to date
0
Altmetric
Original Articles

Gaussian basis sets of triple and quadruple zeta valence quality for correlated wave functions

, &
Pages 2945-2954 | Received 22 Feb 2006, Accepted 05 Jul 2006, Published online: 21 Nov 2006

References

  • Froese-Fischer , C . 1977 . The Hartree-Fock Method for Atoms , New York : Wiley .
  • Roothaan , CCJ . 1951 . Rev. Mod. Phys. , 23 : 69
  • Roothaan , CCJ . 1960 . Rev. Mod. Phys. , 32 : 179
  • Da Silva , ABF , da Costa , HFM and Trsic , M . 1989 . Mol. Phys. , 68 : 433
  • Barbosa , RC and da Silva , ABF . 2003 . Mol. Phys. , 101 : 1073
  • Huzinaga , S . 1971 . Approximate Atomic Functions II , Edmonton : Department of Chemistry, Report, University of Alberta .
  • Da Costa , HFM , Trsic , M and Mohallem , JR . 1987 . Mol. Phys. , 62 : 91
  • Koga , T and Takkar , AJ . 1993 . Theor. Chim. Acta , 85 : 391
  • Jorge , FE and de Castro , EVR . 1999 . Chem. Phys. Lett. , 302 : 454
  • De Castro , EVR , Jorge , FE and Pinheiro , JC . 1999 . Chem. Phys. , 243 : 1
  • Canal Neto , A , Jorge , FE and de Castro , M . 2002 . Int. J. Quantum Chem. , 82 : 126
  • Pinheiro , JC , Jorge , FE and de Castro , EVR . 1999 . J. Mol. Struct. (Theochem) , 491 : 81
  • Pinheiro , JC , Jorge , FE and de Castro , EVR . 2000 . Int. J. Quantum Chem. , 78 : 15
  • Davidson , ER and Feller , D . 1986 . Chem. Rev. , 86 : 681
  • Raffenetti , RC . 1973 . J. Chem. Phys. , 58 : 4452
  • Weigend , F , Furche , F and Ahlrichs , R . 2003 . J. Chem. Phys. , 119 : 12753
  • Schafer , A , Horn , H and Ahlrichs , R . 1992 . J. Chem. Phys. , 97 : 2571
  • Frisch , MJ , Pople , JA and Binkley , JS . 1984 . J. Chem. Phys. , 80 : 3265
  • Dunning , TH Jr . 1989 . J. Chem. Phys. , 90 : 1007
  • Woon , DE and Dunning , TH Jr . 1993 . J. Chem. Phys. , 98 : 1358
  • Almlöf , J and Taylor , PR . 1991 . Adv. Quantum Chem. , 22 : 301
  • Feller , D . 1992 . J. Chem. Phys. , 96 : 6104
  • Martin , JML and Taylor , PR . 1997 . J. Chem. Phys. , 106 : 8620
  • Helgaker , T , Klopper , W , Koch , H and Noga , J . 1997 . J. Chem. Phys. , 106 : 9639
  • Müller , H , Kutzelnigg , W and Noga , J . 1997 . Mol. Phys. , 92 : 535
  • Canal Neto , A , Muniz , EP , Centoducatte , R and Jorge , FE . 2005 . J. Mol. Struct. (Theochem) , 718 : 291
  • Muniz , EP and Jorge , FE . 2006 . Int. J. Quantum Chem. , 106 : 943
  • Pyykko , P , Sundholm , D and Laaksonen , L . 1987 . Mol. Phys. , 60 : 597
  • Pyykko , P , Diercksen , GHF , Muller-Plathe , F and Laaksonen , L . 1987 . Chem. Phys. Lett. , 134 : 575
  • Chakravorty , SJ , Corongiu , G , Flores , JR , Sonnad , V , Clementi , E , Carravetta , V and Cacelli , I . 1989 . Modern Techniques in Computational Chemistry: MOTECC-89 , Leiden : ESCOM .
  • Tatewaki , H , Koga , T , Sakai , Y and Thakkar , AJ . 1994 . J. Chem. Phys. , 101 : 4945
  • Binkley , JS and Pople , JA . 1975 . Int. J. Quantum Chem. , 9 : 229
  • Frisch , MJ , Trucks , GW , Schlegel , HB , Scuseria , GE , Robb , MA , Cheeseman , JR , Montgomery , JA Jr , Vreven , T , Kudin , KN , Burant , JC , Millam , JM , Iyengar , SS , Tomasi , J , Barone , V , Mennucci , B , Cossi , M , Scalmani , G , Rega , N , Petersson , GA , Nakatsuji , H , Hada , M , Ehara , M , Toyota , K , Fukuda , R , Hasegawa , J , Ishida , M , Nakajima , T , Honda , Y , Kitao , O , Nakai , H , Klene , M , Li , X , Knox , JE , Hratchian , HP , Cross , JB , Adamo , C , Jaramillo , J , Gomperts , R , Stratmann , RE , Yazyev , O , Austin , AJ , Cammi , R , Pomelli , C , Ochterski , JW , Ayala , PY , Morokuma , K , Voth , GA , Salvador , P , Dannenberg , JJ , Zakrzewski , VG , Dapprich , S , Daniels , AD , Strain , MC , Farkas , O , Malick , DK , Rabuck , AD , Raghavachari , K , Foresman , JB , Ortiz , JV , Cui , Q , Baboul , AG , Clifford , S , Cioslowski , J , Stefanov , BB , Liu , G , Liashenko , A , Piskorz , P , Komaromi , I , Martin , RL , Fox , DJ , Keith , T , Al-Laham , MA , Peng , CY , Nanayakkara , A , Challacombe , M , Gill , PMW , Johnson , B , Chen , W , Wong , MW , Gonzalez , C and Pople , JA . 2003 . Gaussian 03, Revision A.1 , Pittsburgh : Gaussian, Inc. .
  • Crawford , TD , Sherrill , CD , Valeev , EF , Fermann , JT , King , RA , Leininger , ML , Brown , S , Janssen , CL , Seidl , ET , Kenny , JP and Allen , WD . 2003 . Watkinsville , GA 30677 : PSITECH, Inc. . psi 3.2
  • Kutzelnigg , W and Klopper , W . 1991 . J. Chem. Phys. , 94 : 1985
  • Wilson , AK , van Mourik , T and Dunning , TH Jr . 1996 . J. Mol. Struct. (Theochem) , 388 : 339
  • Lide , DR . 1994 . CRC Handbook of Chemistry and Physics , London : CRC Press . (Editor-in-chief),
  • Murad , E , Hildenbrand , DL and Main , RP . 1966 . J. Chem. Phys. , 45 : 265
  • Pedley , JB and Marshall , EM . 1983 . J. Phys. Chem. Ref. Data , 12 : 967
  • Coquart , B and Prudhomme , JC . 1981 . J. Mol. Spectrosc. , 87 : 75
  • Bell , S , Ng , TL and Suggitt , C . 1972 . J. Mol. Spectrosc. , 44 : 267
  • Barrow , RF . 1960 . Trans. Faraday Soc. , 56 : 952
  • Lide , DR . 1965 . J. Chem. Phys. , 42 : 1013
  • Raymonda , JW , Muenter , JS and Klemperer , W . 1969 . J. Chem. Phys. , 52 : 3558
  • Raymonda , JW and Klemperer , W . 1971 . J. Chem. Phys. , 55 : 232
  • Nelson , RD , Lide , DR and Maryott , AA . 1967 . Selected Values of Electric Dipole Moments for Molecules in the Gas Phase , Washington : NSRDS-NBS10, National Bureau of Standards .

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.