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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 110, 2012 - Issue 2
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Research Articles

Single reference coupled cluster calculations for weakly bound alkaline-earth metal dimers in the ground state: a useful perturbative scheme for an iterative triples correction

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Pages 75-83 | Received 22 Jun 2011, Accepted 17 Oct 2011, Published online: 15 Nov 2011

References

  • Schmidt , MW , Ivanic , J and Ruedenberg , K . 2010 . J. Phys. Chem. A , 114 : 8687
  • Katori , H , Ido , T , Isoya , Y and Kuwata-Gonokami , M . 1999 . Phys. Rev. Lett. , 82 : 1116
  • Merritt , JM , Bondybey , VE and Heavens , MC . 2009 . Science , 324 : 1548
  • Bartlett , RJ . 2005 . Theory and Applications of Computational Chemistry: The First Forty Years , Edited by: Dykstra , C , Frenking , G , Kim , K and Scuseria , G . 1191 – 1221 . Amsterdam : Elsevier . and references therein; R.J. Bartlett and M. Musiał. Rev. Mod. Phys. 79, 291 (2007)
  • Paldus , J and Li , X . 1999 . Adv. Chem. Phys. , 110 : 1 P. Piecuch, K. Kowalski, I.S.O. Pimienta, and M.J. McGuire, Int. Rev. Phys. Chem. 21, 527 (2002); J. Paldus, in Handbook of Molecular Physics and Quantum Chemistry, Vol. 2, edited by S. Wilson (Wiley, Chichester, 2003), pp. 272–313
  • Jeziorski , B and Monkhorst , HJ . 1981 . Phys. Rev. A , 24 : 1668 J. Mášik, and I. Hubač, Adv. Quantum Chem. 31, 75 (1999); U.S. Mahapatra, B. Datta, and D. Mukherjee, J. Chem. Phys., 110, 6171 (1999); J. Pittner, J. Chem. Phys. 118, 10876 (2003)
  • Bartlett , RJ and Musiał , M . 2010 . Recent Progress in Coupled Cluster Methods , Edited by: Čársky , P , Paldus , J and Pittner , J . Berlin : Springer .
  • Paldus , J and Li , X . 1999 . Adv. Chem. Phys. , 110 : 1
  • Shavitt , I and Bartlett , RJ . 2009 . Many-Body Methods in Chemistry and Physics: MBPT and Coupled-Cluster Theory , Cambridge : Cambridge University Press .
  • Hirata , S and Bartlett , RJ . 2000 . Chem. Phys. Lett. , 321 : 216 M. Kállay, and P.R. Surján, J. Chem. Phys. 113, 1359 (2000); ibid. 115 2945 (2001); S. Hirata, J. Phys. Chem. A 107, 9887 (2003); S. Hirata, J. Chem. Phys. 121, 51 (2004); A.A. Auer, G. Baumgartner, D.E. Bernholdt, A. Bibireata, V. Choppella, D. Cociorva, X. Gao, R. Harrison, S. Krishnamoorthy, S. Krishnan, C-C. Lam, Q. Lu, M. Nooijen, R. Pitzer, J. Ramanujam, P. Sadayappan and A. Sibiryakov, Mol. Phys. 104, 211 (2006)
  • Noga , J and Bartlett , RJ . 1987 . J. Chem. Phys. , 86 : 7041 G.E. Scuseria and H.F. Schaefer, Chem. Phys. Lett. 152, 382 (1988); J.D. Watts and R.J. Bartlett, J. Chem. Phys. 93, 6104 (1990)
  • Lee , YS and Bartlett , RJ . 1984 . J. Chem. Phys. , 80 : 4371 M. Urban, J. Noga, S.J. Cole and R.J. Bartlett, J. Chem. Phys. 83, 4041 (1985); J. Noga, R.J. Bartlett and M. Urban, Chem. Phys. Lett. 134, 126 (1987); N. Oliphant and L. Adamowicz, Int. Rev. Phys. Chem. 12, 339 (1993); T.D. Crawford and J.F. Stanton, Int. J. Quantum Chem. 70, 601 (1998); K. Kowalski and P. Piecuch, Chem. Phys. Lett. 344, 165 (2001)
  • Lee , YS , Kucharski , SA and Bartlett , RJ . 1984 . J. Chem. Phys. , 81 : 5906 Erratum, ibid. 82, 5761 (1985)
  • Raghavachari , K , Trucks , GW , Pople , JA and Head-Gordon , M . 1989 . Chem. Phys. Lett. , 157 : 479 J.D. Watts, J. Gauss, and R.J. Bartlett, J. Chem. Phys. 98, 8718 (1993)
  • Piecuch , P , Kowalski , K , Pimienta , ISO and McGuire , MJ . 2002 . Int. Rev. Phys. Chem. , 21 : 527 A.I. Krylov, Chem. Phys. Lett. 350, 522 (2001); D. Sherrill, A.I. Krylov, E.F.C. Byrd, and M. Head-Gordon, J. Chem. Phys. 109, 4171 (1998); E. Xu, J. Shen, Z. Kou and S. Li, J. Chem. Phys. 132, 134110 (2010); J. Shen, E. Xu, Z. Kou, and S. Li, Phys. Chem. Chem. Phys. 13, 8795 (2011)
  • Kowalski , K and Piecuch , P . 2000 . J. Chem. Phys. , 113 : 18 P. Piecuch and M. Włoch, J. Chem. Phys. 123, 224105 (2005); A.G. Taube and R.J. Bartlett, J. Chem. Phys. 128, 044110 (2008); J. Paldus and J. Planelles, Theor. Chim. Acta 89, 13 (1994); X. Li and J. Paldus, J. Chem. Phys. 107, 6257 (1997)
  • Urban , M , Noga , J , Cole , SJ and Bartlett , RJ . 1985 . J. Chem. Phys. , 83 : 4041 E.A. Salter, G.W. Trucks and R.J. Bartlett, J. Chem. Phys. 90, 1752 (1989); E.A. Salter and R.J. Bartlett, J. Chem. Phys. 90, 1767 (1989)
  • Feller , D . 1996 . J. Comput. Chem. , 17 : 1571 K.L. Schuchardt, B.T. Didier, T. Elsethagen, L. Sun, V. Gurumoorthi, J. Chase, J. Li, and T.L. Windus, J. Chem. Inf. Model. 47, 1045 (2007); see www.emsl.pnl.gov/forms/basisform.html
  • Sosa , C , Noga , J and Bartlett , RJ . 1998 . J. Chem. Phys. , 88 : 5974 R.J. Bartlett, J.D. Watts, S.A. Kucharski and J. Noga, Chem. Phys. Lett. 165, 513 (1990)
  • Evangelisti , S , Bendazzoli , GL and Gagliardi , L . 1994 . Chem. Phys. , 185 : 47
  • Stärck , J and Meyer , W . 1996 . Chem. Phys. Lett. , 258 : 421
  • Füsti-Molnár , L and Szalay , PG . 1996 . Chem. Phys. Lett. , 258 : 400
  • Kaledin , LA , Kaledin , AL , Heaven , MC and Bondybey , VE . 1999 . J. Mol. Struct.: THEOCHEM , 461-462 : 177
  • Pecul , M , Jaszuński , M , Larsen , H and Jørgensen , P . 2000 . J. Chem. Phys. , 112 : 3671
  • Patkowski , K , Podeszwa , R and Szalewicz , K . 2007 . J. Phys. Chem. A , 111 : 12822
  • Ascik , PN , Wilke , JJ , Simmonett , AC , Yamaguchi , Y and Schaefer , HF III . 2011 . J. Chem. Phys. , 134 : 074110
  • Nicolaides , CA . 2011 . Int. J. Quantum Chem. , doi: 10.1002/qua.23106
  • Dykstra , CE and Schaefer , HF . 1976 . J. Chem. Phys. , 65 : 5141
  • Dunning , TH . 1989 . J. Chem. Phys. , 90 : 1007 R.A. Kendall, T.H. Dunning Jr, and R.J. Harrison, J. Chem. Phys. 96, 6769 (1992)
  • Balfour , WJ and Douglas , AE . 1970 . Can. J. Phys. , 48 : 901
  • Tiesinga , E , Kotochigova , S and Julienne , PS . 2002 . Phys. Rev. A , 65 : 042722 C.R. Vidal and H.J. Scheingraber, Mol. Spectrosc. 65, 46 (1977)
  • Allard , O , Pashov , A , Knöckel , H and Tiemann , E . 2002 . Phys. Rev. A , 66 : 042503
  • Vidal , CR . 1980 . J. Chem. Phys. , 72 : 1864
  • Czuchaj , E , Krośnicki , M and Stoll , H . 2001 . Theor. Chem. Acc. , 107 : 27
  • Czuchaj , E , Krośnicki , M and Stoll , H . 2003 . Theor. Chem. Acc. , 110 : 28
  • Bussery-Honvault , B , Launay , J-M and Moszynski , R . 2003 . Phys. Rev. A , 68 : 032718
  • Gerber , IC and Ángyán , JG . 2005 . Chem. Phys. Lett. , 416 : 370

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