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Volumn 116, Issue 20, 2002, Pages 8761-8771

Assessment of time-dependent density-functional theory for the calculation of critical features in the absorption spectra of a series of aromatic donor-acceptor systems

(4) Jamorski, Christine a Foresman, James B b Thilgen, Carlo a Lüthi, Hans Peter a

a ETH ZURICH (Switzerland)

b YORK COLLEGE OF PENNSYLVANIA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; CHARGE TRANSFER; DATA ACQUISITION; ELECTRIC CHARGE; ELECTRON TRANSITIONS; ENERGY GAP; FLUORESCENCE; GAS ABSORPTION; GROUND STATE; MOLECULAR DYNAMICS; OPTIMIZATION; ORGANIC SOLVENTS; POLARIZATION; PROBABILITY DENSITY FUNCTION; SPECTRUM ANALYSIS; X RAY SPECTROSCOPY;

DONOR-ACCEPTOR SYSTEMS; EXCITATION ENERGIES;

POLYCYCLIC AROMATIC HYDROCARBONS;

EID: 0037157309 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1465404 Document Type: Article

Times cited : (97)

References (90)

1
- 0003329579
- Organic nonlinear optical materials
- Gordon and Breach, New York
- (1995) Adv. Nonlinear Optics , vol.1
- Bosshard, Ch.¹ Sutter, K.² Prêre, Ph.³ Hulliger, J.⁴ Flörsheimer, M.⁵ Kaatz, P.⁶ Günter, P.⁷

2
- 0004101887
- Materials Research Society, Washington, DC
- (1999) Organic Nonlinear Optical Material and Devices
- Kippelen, B.¹ Lackritz, H.S.² Claus, R.O.³

3
- 0004040064
- Kluwer Academic, Hongham
- (1999) Principles of Fluorescence Spectroscopy, 2nd ed.
- Lakowicz, J.P.¹

4
- 0001357778
- (1999) Angew. Chem. Int. Ed. Engl. , vol.38 , pp. 3047
- La Chair, J.J.¹

5
- 0032536570
- (1998) Angew. Chem. Int. Ed. Engl. , vol.37 , pp. 325

6
- 0012449786
- (1998) Angew. Chem. Int. Ed. Engl. , vol.110 , pp. 339

7
- 0030966276
- (1997) J. Am. Chem. Soc. , vol.119 , pp. 7676

8
- 0000498911
- (1961) Angew. Chem. , vol.73 , pp. 695
- Lippert, E.¹ Lüppert, W.² Moll, F.³ Nägele, W.⁴ Boos, H.⁵ Prigge, H.⁶ Seibold-Blankenstein, I.⁷

9
- 0003524819
- (1962) J. Mol. Spectrosc. , vol.1962 , pp. 443
- Lippert, E.¹ Lüder, W.² Boss, H.³

10
- 0001743513
- (1976) J. Lumin. , vol.12-13 , pp. 877
- Rotkiewicz, K.¹ Grabowski, Z.R.² Krowczynski, A.³ Kühnle, W.⁴

11
- 0020954553
- (1982) J. Lumin. , vol.27 , pp. 339
- Dobkowski, J.¹ Kirkor-Kaminska, E.² Koput, J.³ Siemiarczuk, A.⁴

12
- 0001133440
- (1984) Spectrochim. Acta, Part A , vol.40 , pp. 241
- Rettig, W.¹ Rotkiewicz, K.² Rubaszewska, W.³

13
- 0001407795
- (1992) J. Phys. Chem. , vol.96 , pp. 10809
- Schuddeboom, W.¹ Jonker, S.A.² Warman, J.M.³ Leinhos, U.⁴ Kühnle, W.⁵ Zachariasse, K.A.⁶

14
- 84955834120
- (1993) Pure Appl. Chem. , vol.65 , pp. 1745
- Zachariasse, K.¹ Van der Haar, T.² Hebecker, A.³ Leinhos, U.⁴ Kühnle, W.⁵

15
- 0031559454
- (1997) Chem. Phys. Lett. , vol.274 , pp. 372
- Zachariasse, K.A.¹ Grobys, M.² Tauer, E.³

16
- 0001478391
- (1998) J. Phys. Chem. A , vol.102 , pp. 5670
- Il'ichev, Y.V.¹ Kühnle, W.² Zachariasse, K.A.³

17
- 0003092160
- (1999) Chem. Phys. Lett. , vol.305 , pp. 8
- Rettig, W.¹ Bliss, B.² Dirnberger, K.³

18
- 4243689527
- (2000) Chem. Phys. Lett. , vol.320 , pp. 9
- Zachariasse, K.A.¹

19
- 0000890238
- (2000) Chem. Phys. Lett. , vol.317 , pp. 187
- Rettig, W.¹ Zietz, B.²

20
- 0000510774
- (1999) J. Phys. Chem. A , vol.103 , pp. 7766
- Bulliard, C.¹ Allan, M.² Wirtz, G.³ Haselbach, E.⁴ Zachariasse, K.A.⁵ Detzer, N.⁶ Grinune, S.⁷

21
- 0031591304
- (1997) J. Photochem. Photobiol., A , vol.105 , pp. 373
- Zachariasse, K.A.¹ Grobys, M.² Von der Haar, Th.³ Hebecker, A.⁴ Il'ichev, Yu.V.⁵ Morawski, O.⁶ Rücker, I.⁷ Kühnle, W.⁸

22
- 49549163667
- (1973) Chem. Phys. Lett. , vol.19 , pp. 315
- Rotkiewicz, K.¹ Grellmann, K.H.² Grabowski, Z.R.³

23
- 85045229725
- (1973) Chem. Phys. Lett. , vol.21 , pp. 212

24
- 0001335830
- (1979) Nouv. J. Chim. , vol.3 , pp. 443
- Grabowski, Z.R.¹ Rotkiewicz, K.² Siemiarczuk, A.³ Cowley, D.J.⁴ Baumann, W.⁵

25
- 0041926860
- (1995) Recl. Trav. Chim. Pays-Bas. , vol.114 , pp. 430
- Von der Haar, Th.¹ Hebecker, A.² Il'ichev, Yu.V.³ Jiang, Y.-B.⁴ Kühnle, W.⁵ Zachariasse, K.A.⁶

26
- 0030606747
- (1996) Chem. Phys. Lett. , vol.259 , pp. 119
- Sobolewski, A.L.¹ Domcke, W.²

27
- 0030094248
- (1996) Chem. Phys. Lett. , vol.250 , pp. 428
- Sobolewski, A.L.¹ Domcke, W.²

28
- 0000761173
- (1998) J. Phys. Chem. A , vol.102 , pp. 2716
- Sobolewski, A.L.¹ Sudholt, W.² Domcke, W.³

29
- 1542595937
- (1990) Adv. Quantum Chem. , vol.21 , pp. 255
- Gross, E.K.U.¹ Kohn, W.²

30
- 0002627876
- NATA ASI series, edited by E. K. U. Gross and R. M. Dreizler, Plenum, New York
- (1994) Density Functional Theory , pp. 149
- Gross, E.K.U.¹ Ullrich, C.A.² Gossmann, U.J.³

31
- 0002301098
- Density Functional Theory, edited by R. F. Nalewajski, Springer Series, Springer, Heidelberg
- (1996) Topics in Current Chemistry , vol.81 , pp. 81
- Gross, E.K.U.¹ Dobson, J.F.² Petersilka, M.³

32
- 0009512479
- Density Functionals: Theory and Applications, Proceedings of the Tenth Chris Engelbrecht Summer School in Theoretical Physics, edited by D. Joubert, Springer, Berlin
- (1997) Springer Lecture Notes in Physics
- Burke, K.¹ Gross, E.K.U.²

33
- 0009533581
- Theoretical and Computational Modeling of NLO and Electronic Materials, edited by A. P. Karna and A. T. Yeates American Chemical Society, Washington, DC, 1996, Washington, DC
- (1994) Proceedings of ACS Symposium , pp. 145
- Casida, M.E.¹ Jamorski, C.² Bohr, F.³ Guan, J.⁴ Salahub, D.R.⁵

34
- 0001157659
- edited by D. P. Chong (World Scientific, Singapore)
- (1995) Recent Advances in Density Functional Methods, Part I , pp. 155
- Casida, M.E.¹

35
- 0011143186
- (1996) J. Chem. Phys. , vol.104 , pp. 5134
- Jamorski, C.¹ Casida, M.E.² Salahub, D.R.³

36
- 0000287603
- (1998) J. Chem. Phys. , vol.11 , pp. 4439
- Casida, M.E.¹ Jamorski, C.² Casida, K.C.³ Salahub, D.R.⁴

37
- 0000905794
- (1998) J. Chem. Phys. , vol.109 , pp. 10180
- Tozer, D.J.¹ Handy, N.C.²

38
- 0001076306
- (1999) J. Comput. Chem. , vol.20 , pp. 106
- Handy, N.C.¹ Tozer, D.J.²

39
- 0001518180
- (1999) Mol. Phys. , vol.97 , pp. 859
- Tozer, D.J.¹ Amos, R.D.² Handy, N.C.³ Roos, B.J.⁴ Serrano-Andrés, L.⁵

40
- 0000455244
- (2000) J. Chem. Phys. , vol.112 , pp. 527
- Cai, Z.-L.¹ Reimers, J.R.²

41
- 0034319444
- (2000) J. Chem. Phys. , vol.113 , pp. 7062
- Casida, M.E.¹ Gutierrez, F.² Guan, J.³ Gadea, F.-X.⁴ Salahub, D.R.⁵ Dandey, J.-P.⁶

42
- 0034321439
- (2000) J. Chem. Phys. , vol.113 , pp. 8478
- Gritsenko, O.V.¹ Van Gisbergen, S.J.A.² Görling, A.³ Baerends, E.J.⁴

43
- 0004133516
- Gaussian, Inc., Pittsburgh, PA
- (1998) GAUSSIAN 98
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

44
- 0347170005
- (1972) J. Chem. Phys. , vol.56 , pp. 2257
- Hehre, W.J.¹ Ditchfield, R.² Pople, J.A.³

45
- 26844534384
- (1980) J. Chem. Phys. , vol.72 , pp. 650
- Krishnan, R.¹ Binkley, J.S.² Seeger, R.³ Pople, J.A.⁴

46
- 36549091139
- (1984) J. Chem. Phys. , vol.80 , pp. 3265
- Frisch, M.J.¹ Pople, J.A.² Binkley, J.S.³

47
- 0000216001
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.J.¹ Wilk, C.² Nusair, M.³

48
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

49
- 0032533083
- (1998) J. Chem. Phys. , vol.109 , pp. 8218
- Stratmann, R.E.¹ Scuseria, G.E.² Frisch, M.J.³

50
- 0001016232
- (1994) Acta Crystallogr. , vol.B50 , pp. 363
- Heine, A.¹ Herbst-Irmer, R.² Stalke, D.³ Kühnle, W.⁴ Zachariasse, K.A.⁵

51
- 0002961669
- (1991) Chem. Phys. Lett. , vol.179 , pp. 455
- Kajimoto, O.¹ Yokohama, H.² Ooshima, Y.³ Endo, Y.⁴

52
- 0000280640
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 3189
- Serrano-Andrés, L.¹ Merchán, M.² Roos, B.J.³ Lindh, R.⁴

53
- 4243526102
- (1998) J. Phys. Chem. A , vol.102 , pp. 6297
- Parusel, A.B.J.¹ Köhler, G.² Grimme, S.³

54
- 4143082674
- (1992) J. Photochem. Photobiol., A , vol.64 , pp. 49
- Bauman, W.¹ Bischof, H.² Frohling, J.C.³ Brittinger, C.⁴ Rettig, W.⁵ Rotkiewicz, K.J.⁶

55
- 0000284436
- (1999) J. Chem. Phys. , vol.110 , pp. 5029
- Ernzerhof, M.¹ Scuseria, G.E.²

56
- 0001652762
- (1998) J. Chem. Phys. , vol.109 , pp. 6264
- Hamprecht, F.A.¹ Cohen, A.J.² Tozer, D.J.³ Handy, N.C.⁴

57
- 0030606746
- (1996) Chem. Phys. Lett. , vol.259 , pp. 128
- Grimme, S.¹

58
- 0034671312
- (2000) Phys. Chem. Chem. Phys. , vol.24 , pp. 5545
- Parusel, A.B.J.¹

59
- 0000230721
- (1999) J. Chem. Phys. , vol.111 , pp. 5645
- Grimme, S.¹ Waletzke, M.²

60
- 0000197688
- (1997) J. Chem. Phys. , vol.106 , pp. 6441
- Nooijen, M.¹ Bartlett, R.J.²

61
- 0009512888
- (1997) J. Chem. Phys. , vol.107 , pp. 6812

62
- 0000892699
- (1999) J. Phys. Chem. A , vol.103 , pp. 4056
- Parusel, A.B.J.¹ Köhler, G.² Nooijen, M.³

63
- 0033234010
- (1999) Russ. J. Inorg. Chem. , vol.11 , pp. 1689
- Bochkarev, V.V.¹ Bondaletov, V.G.² Bondaletova, L.I.³

64
- 37049086534
- (1986) J. Chem. Soc., Perkin Trans. 2 , vol.1986 , pp. 1071
- Nicolet, P.¹ Laurence, C.²

65
- 0020173397
- (1982) J. Lumin. , vol.27 , pp. 221
- Rotkiewicz, K.¹ Rubaszewska, W.²

66
- 4243572182
- (1986) Spectrochim. Acta, Part A , vol.42 , pp. 1127
- Köhler, G.¹ Rotkiewicz, K.²

67
- 0000084260
- (1987) Chem. Phys. Lett. , vol.141 , pp. 450
- Kobayashi, T.¹ Futakami, M.² Kajimoto, O.³

68
- 0001430583
- (1991) J. Phys. Chem. , vol.95 , pp. 3491
- Herbich, J.¹ Pérez Salgado, F.² Rettschnick, R.P.H.³

69
- 0000052059
- (1993) J. Phys. Chem. , vol.97 , pp. 13500
- Rettig, W.¹ Braun, D.² Suppan, P.³ Vanthey, E.⁴ Rotkiewicz, K.⁵ Luboradzki, R.⁶ Suwińska, K.⁷

70
- 0003454331
- edited by J. F. Dobson, G. Vignale, and M. P. Das (Plenum, New York)
- (1998) Electronic Density Functional Theory: Recent Progress and New Directions
- Burke, K.¹ Perdew, J.P.² Wang, Y.³

71
- 0002851019
- edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin)
- (1991) Electronic Structure of Solids '91 , pp. 11
- Perdew, J.P.¹

72
- 23244460838
- (1992) Phys. Rev. B , vol.46 , pp. 6671
- Perdew, J.P.¹ Chevary, J.A.² Vosko, S.H.³ Jackson, K.A.⁴ Pederson, M.R.⁵ Singh, D.J.⁶ Fiolhais, C.⁷

73
- 0001622167
- (1993) Phys. Rev. B , vol.48 , pp. 4978
- Perdew, J.P.¹ Chevary, J.A.² Vosko, S.H.³ Jackson, K.A.⁴ Pederson, M.R.⁵ Singh, D.J.⁶ Fiolhais, C.⁷

74
- 2842565972
- (1996) Phys. Rev. B , vol.54 , pp. 16533
- Perdew, J.P.¹ Burke, K.² Wang, Y.³

75
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

76
- 5944261746
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

77
- 11244326290
- (1998) J. Chem. Phys. , vol.108 , pp. 664
- Adamo, C.¹ Barone, V.²

78
- 0003912310
- Gaussian, Inc., Pittsburgh, PA
- (1998) GAUSSIAN 99, Development Version (Revision B.06)
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

79
- 0031235658
- (1997) J. Phys. Chem. , vol.101 , pp. 6836
- Braun, D.¹ Rettig, W.² Delmond, S.³ Létard, J.-F.⁴ Lapouyade, R.⁵

80
- 33751158711
- (1994) J. Phys. Chem. , vol.98 , pp. 5807
- Laurence, C.¹ Nicolet, P.² Tawfik Dalati, M.³

81
- 0029917439
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 9966
- Whitaker, C.M.¹ Patterson, E.V.² Kott, K.L.³ McMahon, R.J.⁴

82
- 0003719957
- Dekker, New York
- (1990) Physical Organic Chemistry: The Fundamental Concepts
- Ritchie, C.D.¹

83
- 4243664295
- (1991) Chem. Rev. , vol.91 , pp. 165
- Hansch, C.¹ Leo, A.² Taft, R.W.³

84
- 0001357804
- (1983) Can. J. Chem. , vol.61 , pp. 249
- Kresge, A.J.¹ Chen, H.J.² Capen, G.L.³ Power, M.F.⁴

85
- 84985530683
- (1985) Helv. Chim. Acta , vol.68 , pp. 1569
- Kvita, V.¹ Sauter, H.-P.² Rihs, G.³

86
- 33947454496
- (1954) Anal. Chem. , vol.26 , pp. 726
- Vandenbelt, J.M.¹ Henrich, C.² Vanden Berg, S.G.³

87
- 0000024290
- (1959) J. Am. Chem. Soc. , vol.81 , pp. 4226
- Fickling, M.M.¹ Fischer, A.² Mann, B.R.³ Packer, J.⁴ Vaughan, J.⁵

88
- 0009512481
- (1987) Collect. Czech. Chem. Commun. , vol.52 , pp. 299
- Garcia, B.¹ Leal, J.M.²

89
- 84981838678
- (1956) Helv. Chim. Acta , vol.39 , pp. 318
- Willi, A.V.¹ Meier, W.²

90
- 21444444464
- (1999) J. Chem. Phys. , vol.111 , pp. 2889
- Adamo, C.¹ Scuseria, G.² Barone, V.³

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