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Journal of Chemical Physics

Volumn 128, Issue 4, 2008, Pages

Fully relativistic calculations on the potential energy surfaces of the lowest 23 states of molecular chlorine

(2) De Macedo, Luiz Guilherme M a De Jong, Wibe A b

a SÃO PAULO STATE UNIVERSITY UNESP (Brazil)

b PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; ELECTRIC EXCITATION; ELECTRONIC STRUCTURE; POTENTIAL ENERGY SURFACES; RELATIVITY; SPECTROSCOPIC ANALYSIS;

MOLECULAR CHLORINE; POTENTIAL ENERGY CURVES; RELATIVISTIC FRAMEWORKS; SPECTROSCOPIC PROPERTIES;

CHLORINE;

EID: 38849199335 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2827457 Document Type: Article

Times cited : (20)

References (48)

1
- 23944517055
- LUNGD9 0341-2040.
- R. B. Evans, Lung LUNGD9 0341-2040 183, 151 (2004).
- (2004) Lung , vol.183 , pp. 151
- Evans, R.B.¹

2
- 0001160201
- JPPCEJ 1010-6030 10.1016/1010-6030(93)85045-A.
- D. Maric, J. P. Burrows, R. Miller, and G. K. Moortget, J. Photochem. Photobiol., A JPPCEJ 1010-6030 10.1016/1010-6030(93)85045-A 70, 205 (1993).
- (1993) J. Photochem. Photobiol., A , vol.70 , pp. 205
- Maric, D.¹ Burrows, J.P.² Miller, R.³ Moortget, G.K.⁴

3
- 0001555452
- JAPIAU 0021-8979 10.1063/1.368820.
- M. V. Malyshev, V. M. Donnely, and S. Samukawa, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.368820 84, 1222 (1998).
- (1998) J. Appl. Phys. , vol.84 , pp. 1222
- Malyshev, M.V.¹ Donnely, V.M.² Samukawa, S.³

4
- 0009427653
- AAMOA2 0065-2199.
- D. R. Bates, Adv. At. Mol. Phys. AAMOA2 0065-2199 20, 1 (1985).
- (1985) Adv. At. Mol. Phys. , vol.20 , pp. 1
- Bates, D.R.¹

5
- 0026961570
- PCPPDW 0272-4324 10.1007/BF01447254.
- W. L. Morgan, Plasma Chem. Plasma Process. PCPPDW 0272-4324 10.1007/BF01447254 12, 449 (1992).
- (1992) Plasma Chem. Plasma Process. , vol.12 , pp. 449
- Morgan, W.L.¹

6
- 38849106374
- Molecular Spectra and Molecular Structure Spectra of Diatomic Molecules (Van Nostrand Reinhold, New York).
- G. Herzberg, Molecular Spectra and Molecular Structure Spectra of Diatomic Molecules (Van Nostrand Reinhold, New York, 1950).
- (1950)
- Herzberg, G.¹

7
- 36849097679
- JCPSA6 0021-9606 10.1063/1.1671746.
- G. E. Busch, R. T. Mahoney, R. I. Morse, and K. R. Wilson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1671746 51, 449 (1969).
- (1969) J. Chem. Phys. , vol.51 , pp. 449
- Busch, G.E.¹ Mahoney, R.T.² Morse, R.I.³ Wilson, K.R.⁴

8
- 0034316904
- JCPSA6 0021-9606 10.1063/1.1319995.
- A. J. Alexander, Z. H. Kim, S. A. Kandel, R. N. Zare, T. P. Rakitis, Y. Asano, and S. Yabushita, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1319995 113, 9022 (2000).
- (2000) J. Chem. Phys. , vol.113 , pp. 9022
- Alexander, A.J.¹ Kim, Z.H.² Kandel, S.A.³ Zare, R.N.⁴ Rakitis, T.P.⁵ Asano, Y.⁶ Yabushita, S.⁷

9
- 0001230756
- JCPSA6 0021-9606 10.1063/1.478415.
- P. C. Samartzis, B. L. G. Bakker, T. P. Rakitzis, D. H. Parker, and T. N. Kitsopoulos, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478415 110, 5201 (1999).
- (1999) J. Chem. Phys. , vol.110 , pp. 5201
- Samartzis, P.C.¹ Bakker, B.L.G.² Rakitzis, T.P.³ Parker, D.H.⁴ Kitsopoulos, T.N.⁵

10
- 0037333151
- PPCPFQ 1463-9076 10.1039/b210092d.
- M. J. Bass, M. Brouard, A. P. Clark, C. Vallence, and B. Martinez-Haya, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b210092d 5, 856 (2003).
- (2003) Phys. Chem. Chem. Phys. , vol.5 , pp. 856
- Bass, M.J.¹ Brouard, M.² Clark, A.P.³ Vallence, C.⁴ Martinez-Haya, B.⁵

11
- 36449002252
- JCPSA6 0021-9606 10.1063/1.463285.
- Y. Matsumi, K. Tonokura, and M. Kawasaki, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.463285 97, 1065 (1992).
- (1992) J. Chem. Phys. , vol.97 , pp. 1065
- Matsumi, Y.¹ Tonokura, K.² Kawasaki, M.³

12
- 0001741655
- CHPLBC 0009-2614 10.1016/0009-2614(89)87191-X.
- Y. Matsumi, M. Kawasaki, T. Sato, and T. Arikawa, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(89)87191-X 155, 486 (1989).
- (1989) Chem. Phys. Lett. , vol.155 , pp. 486
- Matsumi, Y.¹ Kawasaki, M.² Sato, T.³ Arikawa, T.⁴

13
- 36149003371
- PHRVAO 0031-899X 10.1103/PhysRev.57.500.
- R. S. Mulliken, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.57.500 57, 500 (1940).
- (1940) Phys. Rev. , vol.57 , pp. 500
- Mulliken, R.S.¹

14
- 38849172636
- Molecular Spectroscopy (Chemical Society, London), Vol..
- J. A. Coxon, Molecular Spectroscopy (Chemical Society, London, 1973), Vol. 1.
- (1973) , vol.1
- Coxon, J.A.¹

15
- 0001668514
- CHPLBC 0009-2614 10.1016/0009-2614(88)85145-5.
- L. Li, R. J. Lipert, J. Lobue, W. A. Chupka, and S. D. Colson, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(88)85145-5 151, 335 (1988).
- (1988) Chem. Phys. Lett. , vol.151 , pp. 335
- Li, L.¹ Lipert, R.J.² Lobue, J.³ Chupka, W.A.⁴ Colson, S.D.⁵

16
- 0001182893
- JMOSA3 0022-2852 10.1016/0022-2852(80)90116-2.
- J. A. Coxon, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1016/0022-2852(80) 90116-2 82, 264 (1980).
- (1980) J. Mol. Spectrosc. , vol.82 , pp. 264
- Coxon, J.A.¹

17
- 0000730388
- JMOSA3 0022-2852 10.1016/0022-2852(88)90223-8.
- P. Tellinghuisen, B. Guo, D. K. Chakraborty, and J. Tellinghuisen, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1016/0022-2852(88)90223-8 128, 268 (1988).
- (1988) J. Mol. Spectrosc. , vol.128 , pp. 268
- Tellinghuisen, P.¹ Guo, B.² Chakraborty, D.K.³ Tellinghuisen, J.⁴

18
- 0000900852
- JMOSA3 0022-2852 10.1016/0022-2852(91)90057-H.
- T. Ishiwata, A. Ishiguro, and K. Obi, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1016/0022-2852(91)90057-H 147, 300 (1991).
- (1991) J. Mol. Spectrosc. , vol.147 , pp. 300
- Ishiwata, T.¹ Ishiguro, A.² Obi, K.³

19
- 0006898630
- JCPSA6 0021-9606 10.1063/1.461463.
- T. Ishiwata, Y. Kasai, and K. Obi, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.461463 95, 60 (1991).
- (1991) J. Chem. Phys. , vol.95 , pp. 60
- Ishiwata, T.¹ Kasai, Y.² Obi, K.³

20
- 0000657939
- CJPHAD 0008-4204.
- A. E. Douglas and A. R. Hoy, Can. J. Phys. CJPHAD 0008-4204 53, 1965 (1975).
- (1975) Can. J. Phys. , vol.53 , pp. 1965
- Douglas, A.E.¹ Hoy, A.R.²

21
- 0000689239
- JCPSA6 0021-9606 10.1063/1.432713.
- V. E. Bondybey and C. Fletcher, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.432713 64, 3615 (1976).
- (1976) J. Chem. Phys. , vol.64 , pp. 3615
- Bondybey, V.E.¹ Fletcher, C.²

22
- 0000486535
- JMOSA3 0022-2852 10.1016/0022-2852(78)90032-2.
- J. A. Coxon and R. Shanker, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1016/0022-2852(78)90032-2 69, 109 (1978).
- (1978) J. Mol. Spectrosc. , vol.69 , pp. 109
- Coxon, J.A.¹ Shanker, R.²

23
- 38849112795
- JMOSA3 0022-2852.
- D. Bermejo, J. J. Jimenez, and R. Z. Martinez, J. Mol. Spectrosc. JMOSA3 0022-2852 212, 86 (2002).
- (2002) J. Mol. Spectrosc. , vol.212 , pp. 86
- Bermejo, D.¹ Jimenez, J.J.² Martinez, R.Z.³

24
- 0000083439
- CHPLBC 0009-2614 10.1016/0009-2614(87)87194-4.
- J. Tellinghuisen and D. K. Chakraborty, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(87)87194-4 134, 565 (1987).
- (1987) Chem. Phys. Lett. , vol.134 , pp. 565
- Tellinghuisen, J.¹ Chakraborty, D.K.²

25
- 48749148321
- CMPHC2 0301-0104 10.1016/0301-0104(83)85043-5.
- T. Moeller, B. Jordan, P. Gürtler, G. Zimmerer, D. Haaks, J. Le Calve, and M. C. Castex, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(83) 85043-5 76, 295 (1983).
- (1983) Chem. Phys. , vol.76 , pp. 295
- Moeller, T.¹ Jordan, B.² Gürtler, P.³ Zimmerer, G.⁴ Haaks, D.⁵ Le Calve, J.⁶ Castex, M.C.⁷

26
- 0001482273
- CMPHC2 0301-0104 10.1016/0301-0104(81)80208-X.
- S. D. Peyerimhoff and R. J. Buenker, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(81)80208-X 57, 279 (1981).
- (1981) Chem. Phys. , vol.57 , pp. 279
- Peyerimhoff, S.D.¹ Buenker, R.J.²

27
- 84990669539
- IJQCB2 0020-7608 10.1002/qua.560440512.
- S. Roszak and J. Lipinski, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.560440512 44, 831 (1992).
- (1992) Int. J. Quantum Chem. , vol.44 , pp. 831
- Roszak, S.¹ Lipinski, J.²

28
- 0035526005
- JPCAFH 1089-5639 10.1021/jp0120561.
- Y. Asano and S. Yabushita, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp0120561 105, 9873 (2001).
- (2001) J. Phys. Chem. A , vol.105 , pp. 9873
- Asano, Y.¹ Yabushita, S.²

29
- 0037472104
- CHPLBC 0009-2614 10.1016/S0009-2614(03)00432-9.
- Y. Asano and S. Yabushita, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(03)00432-9 372, 348 (2003).
- (2003) Chem. Phys. Lett. , vol.372 , pp. 348
- Asano, Y.¹ Yabushita, S.²

30
- 0042066692
- BKCSDE 0253-2964.
- Y. Asano and S. Yabushita, Bull. Korean Chem. Soc. BKCSDE 0253-2964 24, 703 (2003).
- (2003) Bull. Korean Chem. Soc. , vol.24 , pp. 703
- Asano, Y.¹ Yabushita, S.²

31
- 3142659719
- JCPSA6 0021-9606 10.1063/1.1753554.
- D. B. Kock, A. B. Alekseyev, and R. J. Buenker, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1753554 120, 11549 (2004).
- (2004) J. Chem. Phys. , vol.120 , pp. 11549
- Kock, D.B.¹ Alekseyev, A.B.² Buenker, R.J.³

32
- 27444435775
- JCPSA6 0021-9606 10.1063/1.2080027.
- Y. Honda, M. Hada, M. Ehara, H. Nakatsuji, and J. Michl, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2080027 123, 164113 (2005).
- (2005) J. Chem. Phys. , vol.123 , pp. 164113
- Honda, Y.¹ Hada, M.² Ehara, M.³ Nakatsuji, H.⁴ Michl, J.⁵

33
- 14544295342
- CMPHC2 0301-0104 10.1016/j.chemphys.2004.09.022.
- H. S. Lee, W. K. Cho, Y. J. Choi, and Y. S. Lee, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2004.09.022 311, 121 (2005).
- (2005) Chem. Phys. , vol.311 , pp. 121
- Lee, H.S.¹ Cho, W.K.² Choi, Y.J.³ Lee, Y.S.⁴

34
- 33845284227
- PPCPFQ 1463-9076 10.1039/b612590e.
- A. P. Clark, M. Brouard, F. Quadrini, and C. Valence, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b612590e 8, 5591 (2006).
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 5591
- Clark, A.P.¹ Brouard, M.² Quadrini, F.³ Valence, C.⁴

35
- 0001278546
- JCPSA6 0021-9606 10.1063/1.461987.
- O. Visser, L. Visscher, P. J. C. Aerts, and W. C. Nieuwpoort, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.461987 96, 2910 (1992).
- (1992) J. Chem. Phys. , vol.96 , pp. 2910
- Visser, O.¹ Visscher, L.² Aerts, P.J.C.³ Nieuwpoort, W.C.⁴

36
- 0028447007
- CPHCBZ 0010-4655 10.1016/0010-4655(94)90115-5.
- L. Visscher, O. Visser, P. J. C. Aerts, H. Merenga, and W. C. Nieuwpoort, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/0010-4655(94)90115-5 81, 120 (1994).
- (1994) Comput. Phys. Commun. , vol.81 , pp. 120
- Visscher, L.¹ Visser, O.² Aerts, P.J.C.³ Merenga, H.⁴ Nieuwpoort, W.C.⁵

37
- 0001013631
- JCPSA6 0021-9606 10.1063/1.475194.
- W. A. de Jong, L. Visscher, and W. C. Nieuwpoort, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.475194 107, 9046 (1997).
- (1997) J. Chem. Phys. , vol.107 , pp. 9046
- De Jong, W.A.¹ Visscher, L.² Nieuwpoort, W.C.³

38
- 0031281598
- ADNDAT 0092-640X 10.1006/adnd.1997.0751.
- L. Visscher and K. G. Dyall, At. Data Nucl. Data Tables ADNDAT 0092-640X 10.1006/adnd.1997.0751 67, 207 (1997).
- (1997) At. Data Nucl. Data Tables , vol.67 , pp. 207
- Visscher, L.¹ Dyall, K.G.²

39
- 0001087536
- JCPSA6 0021-9606 10.1063/1.471636.
- L. Visscher and K. G. Dyall, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.471636 104, 9040 (1995).
- (1995) J. Chem. Phys. , vol.104 , pp. 9040
- Visscher, L.¹ Dyall, K.G.²

40
- 0043128204
- JCPSA6 0021-9606.
- J. Teichteil, J. Chem. Phys. JCPSA6 0021-9606 87, 963 (1990).
- (1990) J. Chem. Phys. , vol.87 , pp. 963
- Teichteil, J.¹

41
- 84987142859
- IJQCB2 0020-7608 10.1002/qua.560080106.
- S. R. Langhoff and E. R. Davidson, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.560080106 8, 61 (1974).
- (1974) Int. J. Quantum Chem. , vol.8 , pp. 61
- Langhoff, S.R.¹ Davidson, E.R.²

42
- 38849159332
- Ph.D. thesis, University of Wisconsin-Madison.
- K. A. Peterson, " FIT_1D code.," Ph.D. thesis, University of Wisconsin-Madison, 1990.
- (1990) FIT_1D Code
- Peterson, K.A.¹

43
- 38849183582
- Constants of Diatomic Molecules (Van Nostrand Reinhold, New York).
- K. P. Huber and G. Herzberg, Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).
- (1979)
- Huber, K.P.¹ Herzberg, G.²

44
- 0000983498
- JMOSA3 0022-2852 10.1016/0022-2852(71)90046-4.
- R. J. Leroy and R. B. Bernstein, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1016/0022-2852(71)90046-4 37, 109 (1971).
- (1971) J. Mol. Spectrosc. , vol.37 , pp. 109
- Leroy, R.J.¹ Bernstein, R.B.²

45
- 38849167653
- See http://webbook.nist.gov for a compilation of some spectroscopic constants of Cl2.
- See http://webbook.nist.gov for a compilation of some spectroscopic constants of Cl2.

46
- 33747781416
- CHPLBC 0009-2614.
- D. Zhang, A. Abdel-Hafiez, and B. Zhang, Chem. Phys. Lett. CHPLBC 0009-2614 428, 49 (2006).
- (2006) Chem. Phys. Lett. , vol.428 , pp. 49
- Zhang, D.¹ Abdel-Hafiez, A.² Zhang, B.³

47
- 0003123146
- CMPHC2 0301-0104 10.1016/0301-0104(75)80118-2.
- M. Brith, M. D. Rowe, O. Schnepp, and P. J. Stephens, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(75)80118-2 9, 57 (1975).
- (1975) Chem. Phys. , vol.9 , pp. 57
- Brith, M.¹ Rowe, M.D.² Schnepp, O.³ Stephens, P.J.⁴

48
- 38849095965
- See EPAPS Document No. E-JCPSA6-128-025802 for the corrected curves for all 23 states. This document can be reached through a direct link in the online article's HTML reference section or via EPAPS homepage (http://www.aiorg/ pubservs/epaps.html).
- See EPAPS Document No. E-JCPSA6-128-025802 for the corrected curves for all 23 states. This document can be reached through a direct link in the online article's HTML reference section or via EPAPS homepage (http://www.aip.org/ pubservs/epaps.html).

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