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Journal of Chemical Physics

Volumn 128, Issue 4, 2008, Pages

Hartree-Fock complete basis set limit properties for transition metal diatomics

(3) Williams, T Gavin a Deyonker, Nathan J a Wilson, Angela K a

a UNIVERSITY OF NORTH TEXAS (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; ELECTRONS; EXTRAPOLATION; NUMERICAL METHODS;

DIATOMICS; POWER SERIES;

TRANSITION METALS;

EID: 38849098488 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2822907 Document Type: Article

Times cited : (39)

References (89)

1
- 36549094943
- JCPSA6 0021-9606 10.1063/1.456415.
- J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456415 90, 5622 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 5622
- Pople, J.A.¹ Head-Gordon, M.² Fox, D.J.³ Raghavachari, K.⁴ Curtiss, L.A.⁵

2
- 0000664876
- JCPSA6 0021-9606 10.1063/1.458892.
- L. A. Curtiss, C. Jones, G. W. Trucks, K. Raghavachari, and J. A. Pople, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.458892 93, 2537 (1990).
- (1990) J. Chem. Phys. , vol.93 , pp. 2537
- Curtiss, L.A.¹ Jones, C.² Trucks, G.W.³ Raghavachari, K.⁴ Pople, J.A.⁵

3
- 0041401966
- JCPSA6 0021-9606 10.1063/1.460205.
- L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460205 94, 7221 (1991).
- (1991) J. Chem. Phys. , vol.94 , pp. 7221
- Curtiss, L.A.¹ Raghavachari, K.² Trucks, G.W.³ Pople, J.A.⁴

4
- 0012154673
- JCPSA6 0021-9606 10.1063/1.477422.
- L. A. Curtiss, K. Raghavachari, P. C. Redfern, V. Rassolov, and J. A. Pople, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477422 109, 7764 (1998).
- (1998) J. Chem. Phys. , vol.109 , pp. 7764
- Curtiss, L.A.¹ Raghavachari, K.² Redfern, P.C.³ Rassolov, V.⁴ Pople, J.A.⁵

5
- 0035147937
- JCPSA6 0021-9606 10.1063/1.1321305.
- L. A. Curtiss, P. C. Redfern, K. Raghavachari, and J. A. Pople, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1321305 114, 108 (2001).
- (2001) J. Chem. Phys. , vol.114 , pp. 108
- Curtiss, L.A.¹ Redfern, P.C.² Raghavachari, K.³ Pople, J.A.⁴

6
- 33847679988
- JCPSA6 0021-9606 10.1063/1.2436888.
- L. A. Curtiss, P. C. Redfern, and K. Raghavachari, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2436888 126, 084108 (2007).
- (2007) J. Chem. Phys. , vol.126 , pp. 084108
- Curtiss, L.A.¹ Redfern, P.C.² Raghavachari, K.³

7
- 36549091806
- JCPSA6 0021-9606 10.1063/1.455064.
- G. A. Petersson, A. Bennet, T. G. Tensfeldt, M. A. Al-Laham, W. A. Shirley, and J. Mantzaris, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.455064 89, 2193 (1988).
- (1988) J. Chem. Phys. , vol.89 , pp. 2193
- Petersson, G.A.¹ Bennet, A.² Tensfeldt, T.G.³ Al-Laham, M.A.⁴ Shirley, W.A.⁵ Mantzaris, J.⁶

8
- 36449007061
- JCPSA6 0021-9606 10.1063/1.460448.
- G. A. Petersson, T. G. Tensfeldt, and J. A. Montgomery, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460448 95, 6091 (1991).
- (1991) J. Chem. Phys. , vol.95 , pp. 6091
- Petersson, G.A.¹ Tensfeldt, T.G.² Montgomery Jr., J.A.³

9
- 0000624643
- JCPSA6 0021-9606 10.1063/1.455423.
- G. A. Petersson and M. A. Al-Laham, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.455423 89, 6081 (1991).
- (1991) J. Chem. Phys. , vol.89 , pp. 6081
- Petersson, G.A.¹ Al-Laham, M.A.²

10
- 0038269037
- JCPSA6 0021-9606 10.1063/1.470985.
- J. W. Ochterski, G. A. Petersson, and J. A. Montgomery, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.470985 104, 2598 (1996).
- (1996) J. Chem. Phys. , vol.104 , pp. 2598
- Ochterski, J.W.¹ Petersson, G.A.² Montgomery Jr., J.A.³

11
- 0000215083
- JCPSA6 0021-9606 10.1063/1.467306.
- J. A. Montgomery, Jr., J. W. Ochterski, and G. A. Petersson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.467306 101, 5900 (1994).
- (1994) J. Chem. Phys. , vol.101 , pp. 5900
- Montgomery Jr., J.A.¹ Ochterski, J.W.² Petersson, G.A.³

12
- 0000340764
- JCPSA6 0021-9606 10.1063/1.477924.
- J. A. Montgomery, Jr., J. W. Ochterski, M. J. Frisch, and G. A. Petersson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477924 110, 2822 (1999).
- (1999) J. Chem. Phys. , vol.110 , pp. 2822
- Montgomery Jr., J.A.¹ Ochterski, J.W.² Frisch, M.J.³ Petersson, G.A.⁴

13
- 11044227833
- JCPSA6 0021-9606 10.1063/1.1811608.
- A. Tajti, P. G. Szalay, A. G. Csaszar, M. Kallay, J. Gauss, E. F. Valeev, B. A. Flowers, J. Vazquez, and J. F. Stanton, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1811608 121, 11599 (2004).
- (2004) J. Chem. Phys. , vol.121 , pp. 11599
- Tajti, A.¹ Szalay, P.G.² Csaszar, A.G.³ Kallay, M.⁴ Gauss, J.⁵ Valeev, E.F.⁶ Flowers, B.A.⁷ Vazquez, J.⁸ Stanton, J.F.⁹

14
- 33747293832
- JCPSA6 0021-9606.
- Y. J. Bomble, J. Vazquez, M. Kallay, C. Michauk, P. G. Szalay, A. G. Csaszar, J. Gauss, and J. F. Stanton, J. Chem. Phys. JCPSA6 0021-9606 125, 64108 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 64108
- Bomble, Y.J.¹ Vazquez, J.² Kallay, M.³ Michauk, C.⁴ Szalay, P.G.⁵ Csaszar, A.G.⁶ Gauss, J.⁷ Stanton, J.F.⁸

15
- 0001750657
- JCPSA6 0021-9606 10.1063/1.479454.
- J. M. L. Martin and G. de Oliveira, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.479454 111, 1843 (1999).
- (1999) J. Chem. Phys. , vol.111 , pp. 1843
- Martin, J.M.L.¹ De Oliveira, G.²

16
- 0035826441
- JCPSA6 0021-9606 10.1063/1.1356014.
- S. Parthiban and J. M. L. Martin, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1356014 114, 6014 (2001).
- (2001) J. Chem. Phys. , vol.114 , pp. 6014
- Parthiban, S.¹ Martin, J.M.L.²

17
- 1842424174
- JCPSA6 0021-9606 10.1063/1.1638736.
- A. D. Boese, M. Oren, O. Atasoylu, J. M. L. Martin, M. Kallay, and J. Gauss, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1638736 120, 4129 (2004).
- (2004) J. Chem. Phys. , vol.120 , pp. 4129
- Boese, A.D.¹ Oren, M.² Atasoylu, O.³ Martin, J.M.L.⁴ Kallay, M.⁵ Gauss, J.⁶

18
- 33750004854
- JCPSA6 0021-9606 10.1063/1.2348881.
- A. Karton, E. Rabinovich, J. M. L. Martin, and B. Ruscic, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2348881 125, 144108 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 144108
- Karton, A.¹ Rabinovich, E.² Martin, J.M.L.³ Ruscic, B.⁴

19
- 34547554847
- JCPSA6 0021-9606 10.1063/1.2173988.
- N. J. DeYonker, T. R. Cundari, and A. K. Wilson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2173988 124, 114104 (2006).
- (2006) J. Chem. Phys. , vol.124 , pp. 114104
- Deyonker, N.J.¹ Cundari, T.R.² Wilson, A.K.³

20
- 33748686842
- JCPSA6 0021-9606 10.1063/1.2236116.
- N. J. DeYonker, T. Grimes, S. Yockel, A. Dinescu, B. Mintz, T. R. Cundari, and A. K. Wilson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2236116 125, 104111 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 104111
- Deyonker, N.J.¹ Grimes, T.² Yockel, S.³ Dinescu, A.⁴ Mintz, B.⁵ Cundari, T.R.⁶ Wilson, A.K.⁷

21
- 33748262300
- JPCAFH 1089-5639 10.1021/jp062624i.
- D. S. Ho, N. J. DeYonker, A. K. Wilson, and T. R. Cundari, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp062624i 110, 9767 (2006).
- (2006) J. Phys. Chem. A , vol.110 , pp. 9767
- Ho, D.S.¹ Deyonker, N.J.² Wilson, A.K.³ Cundari, T.R.⁴

22
- 0000759892
- JPCAFH 1089-5639 10.1021/jp990596g.
- D. Feller and D. A. Dixon, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp990596g 103, 6413 (1999).
- (1999) J. Phys. Chem. A , vol.103 , pp. 6413
- Feller, D.¹ Dixon, D.A.²

23
- 0000249244
- JPCAFH 1089-5639 10.1021/jp990425b.
- D. A. Dixon, D. Feller, and G. Sandrone, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp990425b 103, 4744 (1999).
- (1999) J. Phys. Chem. A , vol.103 , pp. 4744
- Dixon, D.A.¹ Feller, D.² Sandrone, G.³

24
- 0034611769
- JPCAFH 1089-5639 10.1021/jp994340m.
- D. Feller and D. A. Dixon, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp994340m 103, 3048 (2000).
- (2000) J. Phys. Chem. A , vol.103 , pp. 3048
- Feller, D.¹ Dixon, D.A.²

25
- 0035827985
- JCPSA6 0021-9606 10.1063/1.1367283.
- D. A. Dixon, D. Feller, and K. A. Peterson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1367283 115, 2576 (2001).
- (2001) J. Chem. Phys. , vol.115 , pp. 2576
- Dixon, D.A.¹ Feller, D.² Peterson, K.A.³

26
- 0037426850
- JPCAFH 1089-5639 10.1021/jp0220736.
- D. A. Dixon, D. Feller, and J. S. Francisco, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp0220736 107, 186 (2003).
- (2003) J. Phys. Chem. A , vol.107 , pp. 186
- Dixon, D.A.¹ Feller, D.² Francisco, J.S.³

27
- 0344494578
- JPCAFH 1089-5639 10.1021/jp030267v.
- D. Feller and D. A. Dixon, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp030267v 107, 9641 (2003).
- (2003) J. Phys. Chem. A , vol.107 , pp. 9641
- Feller, D.¹ Dixon, D.A.²

28
- 0037434948
- JPCAFH 1089-5639 10.1021/jp021569k.
- D. Feller, D. A. Dixon, and J. S. Francisco, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp021569k 107, 1604 (2003).
- (2003) J. Phys. Chem. A , vol.107 , pp. 1604
- Feller, D.¹ Dixon, D.A.² Francisco, J.S.³

29
- 0037460552
- JCPSA6 0021-9606 10.1063/1.1532314.
- D. Feller, K. A. Peterson, W. A. de Jong, and D. A. Dixon, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1532314 118, 3510 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 3510
- Feller, D.¹ Peterson, K.A.² De Jong, W.A.³ Dixon, D.A.⁴

30
- 33746614482
- JCPSA6 0021-9606 10.1063/1.456153.
- T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456153 90, 1007 (1989).
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning Jr., T.H.¹

31
- 0001222210
- CHPLBC 0009-2614 10.1016/S0009-2614(99)00179-7.
- A. Halkier, T. Helgaker, P. Jorgensen, W. Klopper, and J. Olsen, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(99)00179-7 302, 437 (1999).
- (1999) Chem. Phys. Lett. , vol.302 , pp. 437
- Halkier, A.¹ Helgaker, T.² Jorgensen, P.³ Klopper, W.⁴ Olsen, J.⁵

32
- 20944443558
- TCACFW 1432-881X 10.1007/s00214-005-0635-2.
- F. Jensen, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-005-0635-2 113, 267 (2005).
- (2005) Theor. Chem. Acc. , vol.113 , pp. 267
- Jensen, F.¹

33
- 36449009589
- JCPSA6 0021-9606 10.1063/1.464749.
- D. Feller, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464749 98, 7059 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 7059
- Feller, D.¹

34
- 0034414475
- TCACFW 1432-881X 10.1007/s002140000174.
- F. Jensen, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s002140000174 104, 484 (2000).
- (2000) Theor. Chem. Acc. , vol.104 , pp. 484
- Jensen, F.¹

35
- 17744390047
- TCACFW 1432-881X 10.1007/s00214-005-0619-2.
- S. Shahbazian and M. Zahedi, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-005-0619-2 113, 152 (2005).
- (2005) Theor. Chem. Acc. , vol.113 , pp. 152
- Shahbazian, S.¹ Zahedi, M.²

36
- 33645706472
- TCACFW 1432-881X 10.1007/s00214-005-0028-6.
- A. Karton and J. M. L. Martin, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-005-0028-6 115, 330 (2006).
- (2006) Theor. Chem. Acc. , vol.115 , pp. 330
- Karton, A.¹ Martin, J.M.L.²

37
- 0030582278
- CHPLBC 0009-2614 10.1016/0009-2614(96)00898-6.
- J. M. L. Martin, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(96) 00898-6 259, 669 (1996).
- (1996) Chem. Phys. Lett. , vol.259 , pp. 669
- Martin, J.M.L.¹

38
- 0001492276
- JCPSA6 0021-9606 10.1063/1.473932.
- A. K. Wilson and T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473932 106, 8718 (1997).
- (1997) J. Chem. Phys. , vol.106 , pp. 8718
- Wilson, A.K.¹ Dunning Jr., T.H.²

39
- 0000702537
- JCPSA6 0021-9606 10.1063/1.473918.
- J. M. L. Martin and P. R. Taylor, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473918 106, 8620 (1997).
- (1997) J. Chem. Phys. , vol.106 , pp. 8620
- Martin, J.M.L.¹ Taylor, P.R.²

40
- 0032502389
- CHPLBC 0009-2614 10.1016/S0009-2614(98)00111-0.
- A. Halkier, T. Helgaker, P. Jorgensen, W. Klopper, H. Koch, J. Olsen, and A. K. Wilson, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(98)00111-0 286, 243 (1998).
- (1998) Chem. Phys. Lett. , vol.286 , pp. 243
- Halkier, A.¹ Helgaker, T.² Jorgensen, P.³ Klopper, W.⁴ Koch, H.⁵ Olsen, J.⁶ Wilson, A.K.⁷

41
- 0035830230
- JCPSA6 0021-9606 10.1063/1.1415078.
- M. P. de Lara-Castells, R. V. Krems, A. A. Buchachenko, G. Delgado-Barrio, and P. Villarreal, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1415078 115, 10438 (2001).
- (2001) J. Chem. Phys. , vol.115 , pp. 10438
- De Lara-Castells, M.P.¹ Krems, R.V.² Buchachenko, A.A.³ Delgado-Barrio, G.⁴ Villarreal, P.⁵

42
- 34547374567
- JCPSA6 0021-9606 10.1063/1.2741259.
- A. J. C. Varandas, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2741259 126, 244105 (2007).
- (2007) J. Chem. Phys. , vol.126 , pp. 244105
- Varandas, A.J.C.¹

43
- 24144464461
- JCPSA6 0021-9606 10.1063/1.1998907.
- N. B. Balabanov and K. A. Peterson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1998907 123, 064107 (2005).
- (2005) J. Chem. Phys. , vol.123 , pp. 064107
- Balabanov, N.B.¹ Peterson, K.A.²

44
- 33747793459
- JCPSA6 0021-9606 10.1063/1.2335444.
- N. B. Balabanov and K. A. Peterson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2335444 125, 074110 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 074110
- Balabanov, N.B.¹ Peterson, K.A.²

45
- 36348964706
- JPCAFH 1089-5639 10.1021/jp0715023.
- N. J. DeYonker, K. A. Peterson, G. Steyl, A. K. Wilson, and T. R. Cundari, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp0715023 111, 11269 (2007).
- (2007) J. Phys. Chem. A , vol.111 , pp. 11269
- Deyonker, N.J.¹ Peterson, K.A.² Steyl, G.³ Wilson, A.K.⁴ Cundari, T.R.⁵

46
- 46149128739
- CPHREF 0167-7977 10.1016/0167-7977(86)90021-3.
- L. Laaksonen, P. Pyykkö, and D. Sundholm, Comput. Phys. Rep. CPHREF 0167-7977 10.1016/0167-7977(86)90021-3 4, 313 (1986).
- (1986) Comput. Phys. Rep. , vol.4 , pp. 313
- Laaksonen, L.¹ Pyykkö, P.² Sundholm, D.³

47
- 84990631900
- IJQCB2 0020-7608 10.1002/qua.560230126.
- L. Laaksonen, P. Pyykkö, and D. Sundholm, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.560230126 23, 309 (1983).
- (1983) Int. J. Quantum Chem. , vol.23 , pp. 309
- Laaksonen, L.¹ Pyykkö, P.² Sundholm, D.³

48
- 0013527225
- CHPLBC 0009-2614 10.1016/0009-2614(84)85659-6.
- L. Laaksonen, D. Sundholm, and P. Pyykkö, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(84)85659-6 105, 573 (1984).
- (1984) Chem. Phys. Lett. , vol.105 , pp. 573
- Laaksonen, L.¹ Sundholm, D.² Pyykkö, P.³

49
- 84987068239
- IJQCB2 0020-7608 10.1002/qua.560270509.
- L. Laaksonen, D. Sundholm, and P. Pyykkö, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.560270509 27, 601 (1985).
- (1985) Int. J. Quantum Chem. , vol.27 , pp. 601
- Laaksonen, L.¹ Sundholm, D.² Pyykkö, P.³

50
- 0007246828
- MOPHAM 0026-8976 10.1080/00268978500101601.
- D. Sundholm, P. Pyykkö, and L. Laaksonen, Mol. Phys. MOPHAM 0026-8976 10.1080/00268978500101601 55, 627 (1985).
- (1985) Mol. Phys. , vol.55 , pp. 627
- Sundholm, D.¹ Pyykkö, P.² Laaksonen, L.³

51
- 0001414751
- CHPLBC 0009-2614 10.1016/0009-2614(87)87196-8.
- P. Pyykkö, G. H. F. Diercksen, F. Müller-Plathe, and L. Laaksonen, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(87)87196-8 134, 575 (1987).
- (1987) Chem. Phys. Lett. , vol.134 , pp. 575
- Pyykkö, P.¹ Diercksen, G.H.F.² Müller-Plathe, F.³ Laaksonen, L.⁴

52
- 17744382311
- JCPSA6 0021-9606 10.1063/1.455660.
- L. Laaksonen, F. Müller-Plathe, and G. H. F. Diercksen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.455660 89, 4903 (1988).
- (1988) J. Chem. Phys. , vol.89 , pp. 4903
- Laaksonen, L.¹ Müller-Plathe, F.² Diercksen, G.H.F.³

53
- 17744391354
- TCACFW 1432-881X 10.1007/s00214-004-0618-8.
- F. Jensen, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-004-0618-8 113, 187 (2005).
- (2005) Theor. Chem. Acc. , vol.113 , pp. 187
- Jensen, F.¹

54
- 36549094614
- JCPSA6 0021-9606 10.1063/1.451999.
- D. Feller, C. M. Boyle, and E. R. Davidson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.451999 86, 3424 (1987).
- (1987) J. Chem. Phys. , vol.86 , pp. 3424
- Feller, D.¹ Boyle, C.M.² Davidson, E.R.³

55
- 0011461752
- CMPHC2 0301-0104 10.1016/0301-0104(90)85019-S.
- E. R. Davidson, D. Feller, C. M. Boyle, L. Adamowicz, S. A. C. Clark, and C. E. Brio, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(90)85019-S 147, 45 (1990).
- (1990) Chem. Phys. , vol.147 , pp. 45
- Davidson, E.R.¹ Feller, D.² Boyle, C.M.³ Adamowicz, L.⁴ Clark, S.A.C.⁵ Brio, C.E.⁶

56
- 21144474030
- CMPHC2 0301-0104 10.1016/0301-0104(93)80201-J.
- B. P. Hollebone, Y. Zheng, C. E. Brion, E. R. Davidson, and D. Feller, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(93)80201-J 171, 303 (1993).
- (1993) Chem. Phys. , vol.171 , pp. 303
- Hollebone, B.P.¹ Zheng, Y.² Brion, C.E.³ Davidson, E.R.⁴ Feller, D.⁵

57
- 38849117920
- MOLPRO, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, University of Birmingham, Birmingham, UK.
- R. D. Amos, A. Bernhardsson, A. Berning, MOLPRO, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, University of Birmingham, Birmingham, UK, 2002.
- (2002)
- Amos, R.D.¹ Bernhardsson, A.² Berning, A.³

58
- 0030286966
- CPHCBZ 0010-4655 10.1016/0010-4655(96)00098-7.
- J. Kobus, L. Laaksonen, and D. Sundholm, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/0010-4655(96)00098-7 98, 346 (1996).
- (1996) Comput. Phys. Commun. , vol.98 , pp. 346
- Kobus, J.¹ Laaksonen, L.² Sundholm, D.³

59
- 3843146349
- JCPSA6 0021-9606 10.1063/1.464303.
- D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464303 98, 1358 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 1358
- Woon, D.E.¹ Dunning Jr., T.H.²

60
- 0035366784
- JCPSA6 0021-9606 10.1063/1.1367373.
- T. H. Dunning, Jr., K. A. Peterson, and A. K. Wilson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1367373 114, 9244 (2001).
- (2001) J. Chem. Phys. , vol.114 , pp. 9244
- Dunning Jr., T.H.¹ Peterson, K.A.² Wilson, A.K.³

61
- 0347682278
- JCPSA6 0021-9606 10.1063/1.1624591.
- A. K. Wilson and T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1624591 119, 11712 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 11712
- Wilson, A.K.¹ Dunning Jr., T.H.²

62
- 0347007668
- JCPSA6 0021-9606 10.1063/1.462652.
- D. Feller, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462652 96, 6104 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 6104
- Feller, D.¹

63
- 0010408411
- JCPSA6 0021-9606 10.1063/1.466884.
- K. A. Peterson, D. E. Woon, and T. H. Dunning, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.466884 100, 7410 (1994).
- (1994) J. Chem. Phys. , vol.100 , pp. 7410
- Peterson, K.A.¹ Woon, D.E.² Dunning Jr., T.H.³

64
- 36149020283
- PHRVAO 0031-899X 10.1103/PhysRev.126.1015.
- C. Schwartz, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.126.1015 126, 1015 (1962).
- (1962) Phys. Rev. , vol.126 , pp. 1015
- Schwartz, C.¹

65
- 84865423601
- in Methods in Computational Physics, edited by B. Alder, S. Fernbach, and M. Rotenberg (Academic, New York), Vol..
- C. Schwartz, in Methods in Computational Physics, edited by, B. Alder, S. Fernbach, and, M. Rotenberg, (Academic, New York, 1963), Vol. 2.
- (1963) , vol.2
- Schwartz, C.¹

66
- 84951353411
- JCPSA6 0021-9606 10.1063/1.438187.
- D. P. Carroll, H. J. Silverstone, and R. M. Metzger, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.438187 71, 4142 (1979).
- (1979) J. Chem. Phys. , vol.71 , pp. 4142
- Carroll, D.P.¹ Silverstone, H.J.² Metzger, R.M.³

67
- 36549092570
- JCPSA6 0021-9606 10.1063/1.449481.
- R. N. Hill, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.449481 83, 1173 (1985).
- (1985) J. Chem. Phys. , vol.83 , pp. 1173
- Hill, R.N.¹

68
- 36749108307
- JCPSA6 0021-9606 10.1063/1.442208.
- M. R. Nyden and G. A. Petersson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.442208 75, 1843 (1981).
- (1981) J. Chem. Phys. , vol.75 , pp. 1843
- Nyden, M.R.¹ Petersson, G.A.²

69
- 0141925291
- JPCAFH 1089-5639 10.1021/jp035547
- N. B. Balabanov and K. A. Peterson, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp035547p 107, 7465 (2003).
- (2003) J. Phys. Chem. A , vol.107 , pp. 7465
- Balabanov, N.B.¹ Peterson, K.A.²

70
- 19944364849
- JPCAFH 1089-5639 10.1021/jp044561e.
- D. A. Dixon, W. A. de Jong, K. A. Peterson, and T. B. McMahon, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp044561e 109, 4073 (2005).
- (2005) J. Phys. Chem. A , vol.109 , pp. 4073
- Dixon, D.A.¹ De Jong, W.A.² Peterson, K.A.³ McMahon, T.B.⁴

71
- 26444569404
- TCACFW 1432-881X 10.1007/s00214-005-0681-9.
- K. A. Peterson and C. Puzzarini, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-005-0681-9 114, 283 (2005).
- (2005) Theor. Chem. Acc. , vol.114 , pp. 283
- Peterson, K.A.¹ Puzzarini, C.²

72
- 34249681399
- JPCAFH 1089-5639 10.1021/jp068635t.
- E. C. Lee, D. Kim, P. Jurecka, P. Tarakeshwar, P. Hobza, and K. S. Kim, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp068635t 111, 3446 (2007).
- (2007) J. Phys. Chem. A , vol.111 , pp. 3446
- Lee, E.C.¹ Kim, D.² Jurecka, P.³ Tarakeshwar, P.⁴ Hobza, P.⁵ Kim, K.S.⁶

73
- 84890021933
- MOPHAM 0026-8976 10.1080/00268977000101561.
- S. F. Boys and F. Bernardi, Mol. Phys. MOPHAM 0026-8976 10.1080/00268977000101561 19, 553 (1970).
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.F.¹ Bernardi, F.²

74
- 38849173921
- Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules (Van Nostrand Reinhold, New York).
- K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).
- (1979)
- Huber, K.P.¹ Herzberg, G.²

75
- 0000383067
- JCPSA6 0021-9606 10.1063/1.472130.
- R. S. Ram and P. F. Bernath, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472130 105, 2668 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 2668
- Ram, R.S.¹ Bernath, P.F.²

76
- 0007147391
- JPCHAX 0022-3654 10.1021/j100345a026.
- K. L. Kunze and J. F. Harrison, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100345a026 93, 2983 (1989).
- (1989) J. Phys. Chem. , vol.93 , pp. 2983
- Kunze, K.L.¹ Harrison, J.F.²

77
- 36449007682
- JCPSA6 0021-9606 10.1063/1.462628.
- R. S. Ram and P. F. Bernath, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.462628 96, 6344 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 6344
- Ram, R.S.¹ Bernath, P.F.²

78
- 0000757267
- JPCHAX 0022-3654 10.1021/j100166a036.
- J. L. Tilson and J. F. Harrison, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100166a036 95, 5097 (1991).
- (1991) J. Phys. Chem. , vol.95 , pp. 5097
- Tilson, J.L.¹ Harrison, J.F.²

79
- 33847687639
- JCCHDD 0192-8651 10.1002/jcc.20603.
- Z. J. Wu, M. Y. Wang, and Z. M. Su, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.20603 28, 703 (2007).
- (2007) J. Comput. Chem. , vol.28 , pp. 703
- Wu, Z.J.¹ Wang, M.Y.² Su, Z.M.³

80
- 33646205439
- JMOSA3 0022-2852 10.1016/j.jms.2006.02.006.
- J. Genger, J. Chen, T. C. Steimle, R. S. Ram, and P. F. Bernath, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1016/j.jms.2006.02.006 237, 36 (2006).
- (2006) J. Mol. Spectrosc. , vol.237 , pp. 36
- Genger, J.¹ Chen, J.² Steimle, T.C.³ Ram, R.S.⁴ Bernath, P.F.⁵

81
- 34047192634
- JPCAFH 1089-5639 10.1021/jp067451b.
- E. Miliordos and A. Mavridis, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp067451b 111, 1953 (2007).
- (2007) J. Phys. Chem. A , vol.111 , pp. 1953
- Miliordos, E.¹ Mavridis, A.²

82
- 22844433395
- JCPSA6 0021-9606 10.1063/1.1926247.
- A. Kalemos, T. H. Dunning, Jr., and A. Mavridis, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1926247 123, 014302 (2005).
- (2005) J. Chem. Phys. , vol.123 , pp. 014302
- Kalemos, A.¹ Dunning Jr., T.H.² Mavridis, A.³

83
- 7544243330
- JCPSA6 0021-9606 10.1063/1.1788656.
- G. L. Gutsev, M. D. Mochena, P. Jena, C. W. Bauschlicher, Jr., and H. Partridge III, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1788656 121, 6785 (2004).
- (2004) J. Chem. Phys. , vol.121 , pp. 6785
- Gutsev, G.L.¹ Mochena, M.D.² Jena, P.³ Bauschlicher Jr., C.W.⁴ Iii, P.H.⁵

84
- 0042737854
- TCACFW 1432-881X 10.1007/s00214-003-0428-4.
- G. L. Gutsev, L. Andrews, and C. W. Bauschlicher, Jr., Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-003-0428-4 109, 298 (2003).
- (2003) Theor. Chem. Acc. , vol.109 , pp. 298
- Gutsev, G.L.¹ Andrews, L.² Bauschlicher Jr., C.W.³

85
- 0037155387
- JCPSA6 0021-9606 10.1063/1.1450548.
- D. Tzeli and A. Mavridis, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1450548 116, 4901 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 4901
- Tzeli, D.¹ Mavridis, A.²

86
- 0037115814
- JCPSA6 0021-9606 10.1063/1.1519257.
- D. J. Brugh and M. D. Morse, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1519257 117, 10703 (2002).
- (2002) J. Chem. Phys. , vol.117 , pp. 10703
- Brugh, D.J.¹ Morse, M.D.²

87
- 0037326622
- JCPSA6 0021-9606 10.1063/1.1534107.
- N. F. Lindholm, D. J. Brugh, G. K. Rothschopf, S. M. Sickafoose, and M. D. Morse, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1534107 118, 2190 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 2190
- Lindholm, N.F.¹ Brugh, D.J.² Rothschopf, G.K.³ Sickafoose, S.M.⁴ Morse, M.D.⁵

88
- 0011834164
- JCPSA6 0021-9606 10.1063/1.473615.
- L. R. Brock, A. M. Knight, J. E. Reddic, J. S. Pilgrim, and M. A. Duncan, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473615 106, 6268 (1997).
- (1997) J. Chem. Phys. , vol.106 , pp. 6268
- Brock, L.R.¹ Knight, A.M.² Reddic, J.E.³ Pilgrim, J.S.⁴ Duncan, M.A.⁵

89
- 33845324892
- JCPSA6 0021-9606 10.1063/1.2355495.
- M. A. Flory, S. K. McLamarrah, and L. M. Ziurys, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2355495 125, 194304 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 194304
- Flory, M.A.¹ McLamarrah, S.K.² Ziurys, L.M.³

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