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Journal of Computational Methods in Sciences and Engineering

Volumn 4, Issue 3, 2004, Pages 381-397

The calculation of excited-state polarizabilities of solvated molecules

(4) Ruud, Kenneth a Mennucci, Benedetta b Cammi, Roberto c Frediani, Luca c

a UNIVERSITY OF TROMSØ (Norway)

b UNIVERSITY OF PISA (Italy)

c UNIVERSITY OF PARMA (Italy)

Author keywords

Ab initio calculation; excited state polarizability; solvated molecules

Indexed keywords

CALCULATIONS; MOLECULES;

AB INITIO CALCULATIONS; AB INITIO METHOD; DIELECTRIC CONTINUUM; NON EQUILIBRIUM; POLARIZABILITIES; SOLVATED MOLECULES; SOLVATION MODELS; THEORETICAL CALCULATIONS;

EXCITED STATES;

EID: 34548213152 PISSN: 14727978 EISSN: None Source Type: Journal
DOI: 10.3233/jcm-2004-4314 Document Type: Article

Times cited : (11)

References (65)

1
- 0040737033
- D.M. Bishop, Adv. Quantum Chem. 25 (1994), 1.
- (1994) Adv. Quantum Chem. , vol.25 , pp. 1
- Bishop, D.M.¹

2
- 0038078879
- D.P. Shelton and J.E. Rice, Chem. Rev. 94 (1994), 3.
- (1994) Chem. Rev. , vol.94 , pp. 3
- Shelton, D.P.¹ Rice, J.E.²

3
- 0002170690
- Y. Luo, H. Ågren, P. Jørgensen and K.V. Mikkelsen, Adv. Quantum Chem. 26 (1995), 165.
- (1995) Adv. Quantum Chem. , vol.26 , pp. 165
- Luo, Y.¹ Ågren, H.² Jørgensen, P.³ Mikkelsen, K.V.⁴

4
- 0001912180
- S. Heitz, D. Weidauer and A. Hese, Chem. Phys. Lett. 176 (1991), 55.
- (1991) Chem. Phys. Lett. , vol.176 , pp. 55
- Heitz, S.¹ Weidauer, D.² Hese, A.³

5
- 0000630065
- S. Heitz, D. Weidauer and A. Hese, J. Chem. Phys. 95 (1991), 7952.
- (1991) J. Chem. Phys. , vol.95 , pp. 7952
- Heitz, S.¹ Weidauer, D.² Hese, A.³

6
- 0000520997
- S. Heitz, D. Weidauer, B. Rosenow and A. Hese, J. Chem. Phys. 96 (1992), 976.
- (1992) J. Chem. Phys. , vol.96 , pp. 976
- Heitz, S.¹ Weidauer, D.² Rosenow, B.³ Hese, A.⁴

7
- 0026914380
- D.C. Rodenberger, J.R. Heflin and A.F. Garito, Nature 359 (1992), 309.
- (1992) Nature , vol.359 , pp. 309
- Rodenberger, D.C.¹ Heflin, J.R.² Garito, A.F.³

8
- 0001309955
- D.C. Rodenberger, J.R. Heflin and A.F. Garito, Phys. Rev. A, 51 (1995), 3234.
- (1995) Phys. Rev. A , vol.51 , pp. 3234
- Rodenberger, D.C.¹ Heflin, J.R.² Garito, A.F.³

9
- 0000404540
- Y. Luo, D. Jonsson, P. Norman, K. Ruud, O. Vahtras, B. Minaev, H. Ågren, A. Rizzo and K.V. Mikkelsen, Int. J. Quantum Chem. 70 (1998), 219.
- (1998) Int. J. Quantum Chem. , vol.70 , pp. 219
- Luo, Y.¹ Jonsson, D.² Norman, P.³ Ruud, K.⁴ Vahtras, O.⁵ Minaev, B.⁶ Ågren, H.⁷ Rizzo, A.⁸ Mikkelsen, K.V.⁹

10
- 0000693404
- D. Jonsson, P. Norman, Y. Liu and H. Ågren, J. Chem. Phys. 105 (1996), 581.
- (1996) J. Chem. Phys. , vol.105 , pp. 581
- Jonsson, D.¹ Norman, P.² Liu, Y.³ Ågren, H.⁴

11
- 0000687898
- Y. Luo, P. Norman, D. Jonsson and H. Ågren, Mol. Phys. 89 (1996), 1409.
- (1996) Mol. Phys. , vol.89 , pp. 1409
- Luo, Y.¹ Norman, P.² Jonsson, D.³ Ågren, H.⁴

12
- 0031576959
- P. Norman, D. Jonsson and H. Ågren, Chem. Phys. Lett. 268 (1997), 337.
- (1997) Chem. Phys. Lett. , vol.268 , pp. 337
- Norman, P.¹ Jonsson, D.² Ågren, H.³

13
- 0031318685
- D. Jonsson, P. Norman and H. Ågren, Chem. Phys. 224 (1997), 201.
- (1997) Chem. Phys. , vol.224 , pp. 201
- Jonsson, D.¹ Norman, P.² Ågren, H.³

14
- 0011504938
- E.M.S. Castanheira and J.M.G. Martinho, J. Photochem. Photobiol. A: Chem. 80 (1994), 151.
- (1994) J. Photochem. Photobiol. A: Chem. , vol.80 , pp. 151
- Castanheira, E.M.S.¹ Martinho, J.M.G.²

15
- 0035861003
- H. Heinz, U.W. Suter and E. Leontidis, J. Am. Chem. Soc. 123 (2001), 11229.
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 11229
- Heinz, H.¹ Suter, U.W.² Leontidis, E.³

16
- 0001568946
- D. Jonsson, P. Norman, H. Ågren, Y. Luo, K.O. Sylvester-Hvid and K.V. Mikkelsen, J. Chem. Phys. 109 (1998), 6351.
- (1998) J. Chem. Phys. , vol.109 , pp. 6351
- Jonsson, D.¹ Norman, P.² Ågren, H.³ Luo, Y.⁴ Sylvester-Hvid, K.O.⁵ Mikkelsen, K.V.⁶

17
- 84962449531
- R. Cammi, L. Frediani, B. Mennucci and K. Ruud, J. Chem. Phys 119 (2003), 5818.
- (2003) J. Chem. Phys , vol.119 , pp. 5818
- Cammi, R.¹ Frediani, L.² Mennucci, B.³ Ruud, K.⁴

18
- 11744256643
- J. Tomasi and M. Persico, Chem. Rev. 94 (1994), 2027.
- (1994) Chem. Rev. , vol.94 , pp. 2027
- Tomasi, J.¹ Persico, M.²

19
- 36549100225
- J. Olsen and P. Jørgensen, J. Chem. Phys. 82 (1985), 3235.
- (1985) J. Chem. Phys. , vol.82 , pp. 3235
- Olsen, J.¹ Jørgensen, P.²

20
- 0003895523
- Academic Press, 2 edition
- R. McWeeny, Methods of Molecular Quantum Mechanics, Academic Press, 2 edition, 1992.
- (1992) Methods of Molecular Quantum Mechanics
- McWeeny, R.¹

21
- 84987063875
- J. Li, J. Feng and J. Sun, Int. J. Quantum Chem. 62 (1994), 673.
- (1994) Int. J. Quantum Chem. , vol.62 , pp. 673
- Li, J.¹ Feng, J.² Sun, J.³

22
- 0000934548
- H. Hettema, H.J.Aa. Jensen, P. Jørgensen and J. Olsen, J. Chem. Phys. 97 (1992), 1174.
- (1992) J. Chem. Phys. , vol.97 , pp. 1174
- Hettema, H.¹ Jensen, H.J.Aa.² Jørgensen, P.³ Olsen, J.⁴

23
- 0001865286
- P. Norman, D. Jonsson, O. Vahtras and H. Ågren, Chem. Phys. Lett. 242 (1995), 7.
- (1995) Chem. Phys. Lett. , vol.242 , pp. 7
- Norman, P.¹ Jonsson, D.² Vahtras, O.³ Ågren, H.⁴

24
- 0030554874
- P. Norman, D. Jonsson, O. Vahtras and H. Ågren, Chem. Phys. 203 (1996), 23.
- (1996) Chem. Phys. , vol.203 , pp. 23
- Norman, P.¹ Jonsson, D.² Vahtras, O.³ Ågren, H.⁴

25
- 0001286984
- D. Jonsson, P. Norman and H. Ågren, J. Chem. Phys. 105 (1996), 6401.
- (1996) J. Chem. Phys. , vol.105 , pp. 6401
- Jonsson, D.¹ Norman, P.² Ågren, H.³

26
- 0000331904
- S.J.A. van Gisbergen, J.G. Snijders and E.J. Baerends, J. Chem. Phys. 109 (1998), 10644.
- (1998) J. Chem. Phys. , vol.109 , pp. 10644
- Van Gisbergen, S.J.A.¹ Snijders, J.G.² Baerends, E.J.³

27
- 0036904361
- P. Sałek, O. Vahtras, T. Helgaker and H. Ågren, J. Chem. Phys. 117 (2002), 9630.
- (2002) J. Chem. Phys. , vol.117 , pp. 9630
- Sałek, P.¹ Vahtras, O.² Helgaker, T.³ Ågren, H.⁴

28
- 3342969475
- P. Jørgensen, H.J.Aa. Jensen and J. Olsen, J. Chem. Phys. 89 (1988), 3654.
- (1988) J. Chem. Phys. , vol.89 , pp. 3654
- Jørgensen, P.¹ Jensen, H.J.Aa.² Olsen, J.³

29
- 0001734807
- H. Ågren, O. Vahtras, H. Koch, P. Jørgensen and T. Helgaker, J. Chem. Phys. 98 (1993), 6417.
- (1993) J. Chem. Phys. , vol.98 , pp. 6417
- Ågren, H.¹ Vahtras, O.² Koch, H.³ Jørgensen, P.⁴ Helgaker, T.⁵

30
- 84913393989
- H.F. Schaefer III, ed., Plenum
- B. Roos and P. Siegbahn, in: Methods of Electronic Structure Theory, H.F. Schaefer III, ed., Plenum, 1977.
- (1977) Methods of Electronic Structure Theory
- Roos, B.¹ Siegbahn In, P.²

31
- 36549096043
- H.J.Aa. Jensen and P. Jørgensen, J. Chem. Phys. 80 (1984), 1204.
- (1984) J. Chem. Phys. , vol.80 , pp. 1204
- Jensen, H.J.Aa.¹ Jørgensen, P.²

32
- 0038553764
- T. Helgaker, P. Jørgensen and N.C. Handy, Theor. Chim. Acta 76 (1989), 227.
- (1989) Theor. Chim. Acta , vol.76 , pp. 227
- Helgaker, T.¹ Jørgensen, P.² Handy, N.C.³

33
- 36549100024
- H. Koch and P. Jørgensen, J. Chem. Phys. 93 (1990), 3333.
- (1990) J. Chem. Phys. , vol.93 , pp. 3333
- Koch, H.¹ Jørgensen, P.²

34
- 0001212624
- H. Koch, H.J.Aa. Jensen, P. Jørgensen and T. Helgaker, J. Chem. Phys. 93 (1990), 3345.
- (1990) J. Chem. Phys. , vol.93 , pp. 3345
- Koch, H.¹ Jensen, H.J.Aa.² Jørgensen, P.³ Helgaker, T.⁴

35
- 0038924893
- O. Christiansen, P. Jørgensen and C. Hättig, Int. J. Quantum Chem. 68 (1998), 1.
- (1998) Int. J. Quantum Chem. , vol.68 , pp. 1
- Christiansen, O.¹ Jørgensen, P.² Hättig, C.³

36
- 84962407635
- J. Tomasi, R. Cammi, B. Mennucci, C. Cappelli and S. Corni, Phys. Chem. Chem. Phys. 4 (2002), 5697.
- (2002) Phys. Chem. Chem. Phys. , vol.4 , pp. 5697
- Tomasi, J.¹ Cammi, R.² Mennucci, B.³ Cappelli, C.⁴ Corni, S.⁵

37
- 84946893847
- S. Miertuš, E. Scrocco and J. Tomasi, J. Chem. Phys. 55 (1981), 117.
- (1981) J. Chem. Phys. , vol.55 , pp. 117
- Miertuš, S.¹ Scrocco, E.² Tomasi, J.³

38
- 84986435825
- R. Cammi and J. Tomasi, J. Comput. Chem. 16 (1995), 1449.
- (1995) J. Comput. Chem. , vol.16 , pp. 1449
- Cammi, R.¹ Tomasi, J.²

39
- 84962476373
- E. Cancés and B. Mennucci, J. Math. Chem. 23 (1998), 309.
- (1998) J. Math. Chem. , vol.23 , pp. 309
- Cancés, E.¹ Mennucci, B.²

40
- 0031209054
- E. Cancés, B. Mennucci and J. Tomasi, J. Chem. Phys. 107 (1997), 3032.
- (1997) J. Chem. Phys. , vol.107 , pp. 3032
- Cancés, E.¹ Mennucci, B.² Tomasi, J.³

41
- 0031553301
- B. Mennucci, E. Cancés and J. Tomasi, J. Phys. Chem. B, 101 (1997), 10506.
- (1997) J. Phys. Chem. B , vol.101 , pp. 10506
- Mennucci, B.¹ Cancés, E.² Tomasi, J.³

42
- 84962440468
- R. Cammi, L. Frediani, B. Mennucci, J. Tomasi, K. Ruud and K.V. Mikkelsen, J. Chem. Phys. 117 (2002), 13.
- (2002) J. Chem. Phys. , vol.117 , pp. 13
- Cammi, R.¹ Frediani, L.² Mennucci, B.³ Tomasi, J.⁴ Ruud, K.⁵ Mikkelsen, K.V.⁶

43
- 33845283355
- K.V. Mikkelsen, E. Dalgaard and P. Swanstrøm, J. Phys. Chem. 91 (1987), 3081.
- (1987) J. Phys. Chem. , vol.91 , pp. 3081
- Mikkelsen, K.V.¹ Dalgaard, E.² Swanstrøm, P.³

44
- 36549101019
- K.V. Mikkelsen, H. Ågren, H.J.Aa. Jensen and T. Helgaker, J. Chem. Phys. 89 (1988), 3086.
- (1988) J. Chem. Phys. , vol.89 , pp. 3086
- Mikkelsen, K.V.¹ Ågren, H.² Jensen, H.J.Aa.³ Helgaker, T.⁴

45
- 36449003296
- K.V. Mikkelsen, A. Cesar, H. Ågren and H.J.Aa. Jensen, J. Chem. Phys. 103 (1995), 9010.
- (1995) J. Chem. Phys. , vol.103 , pp. 9010
- Mikkelsen, K.V.¹ Cesar, A.² Ågren, H.³ Jensen, H.J.Aa.⁴

46
- 36449005369
- A. Willetts and J.E. Rice, J. Phys. Chem. 99 (1993), 426.
- (1993) J. Phys. Chem. , vol.99 , pp. 426
- Willetts, A.¹ Rice, J.E.²

47
- 0343791148
- L. Onsager, J. Am. Chem. Soc. 58 (1936), 1486.
- (1936) J. Am. Chem. Soc. , vol.58 , pp. 1486
- Onsager, L.¹

48
- 33751035003
- K.V. Mikkelsen and K.O. Sylvester-Hvid, J. Phys. Chem. 100 (1996), 9116.
- (1996) J. Phys. Chem. , vol.100 , pp. 9116
- Mikkelsen, K.V.¹ Sylvester-Hvid, K.O.²

49
- 0032184698
- K.O. Sylvester-Hvid, K.V. Mikkelsen, D. Jonsson, P. Norman and O. Vahtras, J. Chem. Phys. 109 (1998), 5576.
- (1998) J. Chem. Phys. , vol.109 , pp. 5576
- Sylvester-Hvid, K.O.¹ Mikkelsen, K.V.² Jonsson, D.³ Norman, P.⁴ Vahtras, O.⁵

50
- 0001614707
- K.-O. Sylvester-Hvid, K.V. Mikkelsen, D. Jonsson, P. Norman and H. Ågren, J. Phys. Chem. A, 103 (1999), 8375.
- (1999) J. Phys. Chem. A , vol.103 , pp. 8375
- Sylvester-Hvid, K.-O.¹ Mikkelsen, K.V.² Jonsson, D.³ Norman, P.⁴ Ågren, H.⁵

51
- 0031161832
- D.M. Chipman, J. Chem. Phys. 106 (1997), 10194.
- (1997) J. Chem. Phys. , vol.106 , pp. 10194
- Chipman, D.M.¹

52
- 84961981281
- E. Cancés and B. Mennucci, J. Chem. Phys. 115 (2001), 6130.
- (2001) J. Chem. Phys. , vol.115 , pp. 6130
- Cancés, E.¹ Mennucci, B.²

53
- 0012879193
- L.S. Prabhumirashi and S.S. Kunte, Spectrochim. Acta A, 44 (1988), 213.
- (1988) Spectrochim. Acta A , vol.44 , pp. 213
- Prabhumirashi, L.S.¹ Kunte, S.S.²

54
- 0000268918
- H.K. Sinha and K.J. Yates, J. Chem. Phys. 93 (1990), 7085.
- (1990) J. Chem. Phys. , vol.93 , pp. 7085
- Sinha, H.K.¹ Yates, K.J.²

55
- 0000438665
- M. Takezaki, N. Hirota and M. Terazima, J. Phys. Chem. A, 101 (1997), 3443.
- (1997) J. Phys. Chem. A , vol.101 , pp. 3443
- Takezaki, M.¹ Hirota, N.² Terazima, M.³

56
- 0001502996
- M. Okruss, R. Müller and A. Hese, J. Chem. Phys. 110 (1999), 10393.
- (1999) J. Chem. Phys. , vol.110 , pp. 10393
- Okruss, M.¹ Müller, R.² Hese, A.³

57
- 21144469597
- I. Renge, Chem. Phys. 167 (1992), 173.
- (1992) Chem. Phys. , vol.167 , pp. 173
- Renge, I.¹

58
- 1542368936
- S.P. Karna, P.N. Prasad and M. Dupuis, J. Chem. Phys. 94 (1991), 1171.
- (1991) J. Chem. Phys. , vol.94 , pp. 1171
- Karna, S.P.¹ Prasad, P.N.² Dupuis, M.³

59
- 84962383275
- L. Frediani, R. Cammi, C.S. Pomelli, J. Tomasi and K. Ruud, J. Comp. Chem. 25 (2003), 375.
- (2003) J. Comp. Chem. , vol.25 , pp. 375
- Frediani, L.¹ Cammi, R.² Pomelli, C.S.³ Tomasi, J.⁴ Ruud, K.⁵

60
- 0030624708
- G.U. Bublitz and S.G. Boxer, Ann. Rev. Phys. Chem. 48 (1997), 213.
- (1997) Ann. Rev. Phys. Chem. , vol.48 , pp. 213
- Bublitz, G.U.¹ Boxer, S.G.²

61
- 0003060364
- B.O. Roos, K. Andersson and M.P. Fülscher, Chem. Phys. Lett. 192 (1992), 5.
- (1992) Chem. Phys. Lett. , vol.192 , pp. 5
- Roos, B.O.¹ Andersson, K.² Fülscher, M.P.³

62
- 36849108611
- E.N. Lassetre, A. Skerbele, M.A. Dillon and K.J. Ross, J. Chem. Phys. 48 (1968), 5066.
- (1968) J. Chem. Phys. , vol.48 , pp. 5066
- Lassetre, E.N.¹ Skerbele, A.² Dillon, M.A.³ Ross, K.J.⁴

63
- 36448999950
- J.F. Stanton and R.J. Bartlett, J. Chem. Phys. 98 (1993), 7029.
- (1993) J. Chem. Phys. , vol.98 , pp. 7029
- Stanton, J.F.¹ Bartlett, R.J.²

64
- 0000369777
- P. Rozyczko and R.J. Bartlett, J. Chem. Phys. 107 (1997), 10823.
- (1997) J. Chem. Phys. , vol.107 , pp. 10823
- Rozyczko, P.¹ Bartlett, R.J.²

65
- 0004991862
- C. Hättig, H. Koch and P. Jørgensen, J. Chem. Phys. 109 (1998), 3293.
- (1998) J. Chem. Phys. , vol.109 , pp. 3293
- Hättig, C.¹ Koch, H.² Jørgensen, P.³

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