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Volumn 89, Issue 1, 1988, Pages 385-395

Ab initio analytic polarizability, first and second hyperpolarizabilities of large conjugated organic molecules: Applications to polyenes C 4H6 to C22H24

(3) Hurst, Graham J B a,b Dupuis, Michel a Clementi, Enrico a

a IBM (United States)

b Hypercube Inc ^* (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 36549091613 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.455480 Document Type: Article

Times cited : (491)

References (58)

1
- 84950548150
- edited by D. J. Williams, ACS Symp. Ser. 233 (American Chemical Society, Washington, DC)
- (1985) Nonlinear Optical Properties of Organic and Polymeric Materials

2
- 0009736098
- edited by H. Kuzmany, M. Mehring, and S. Roth, Springer Ser. Solid State Sci. 63 (Springer, Berlin)
- (1985) ^Electronic Properties of Polymers and Related Compounds

3
- 0003558901
- edited by D. S. Chemla and J. Zyss (Academic, Orlando), Vols. I and II.
- (1987) Nonlinear Optical Properties of Organic Molecules and Crystals

4
- 0023165447
- (1987) Solid State Commun. , vol.61 , pp. 221
- Sinclair, M.¹ Moses, D.² Heeger, A.J.³ Vilhelmsson, K.⁴ Valk, B.⁵ Salour, M.⁶

5
- 0022595714
- (1987) Synth. Met. , vol.17 , pp. 343
- Heeger, A.J.¹ Moses, D.² Sinclair, M.³

6
- 0022604431
- (1987) Synth. Met. , vol.17 , pp. 563
- Kajzar, F.¹ Etemad, S.² Baker, G.L.³ Messier, J.⁴

7
- 0000757103
- (1967) Adv. Chem. Phys. , vol.12 , pp. 107
- Buckingham, A.D.¹

8
- 2342430094
- (1951) Rev. Mod. Phys. , vol.23 , pp. 69
- Roothaan, C.C.J.¹

9
- 84918024995
- (1962) Adv. Phys. , vol.11 , pp. 281
- Dalgarno, A.¹

10
- 36849141327
- (1963) J. Chem. Phys. , vol.38 , pp. 550
- Stevens, R.M.¹ Pitzer, R.M.² Lipscomb, W.N.³

11
- 36849113883
- (1968) J. Chem. Phys. , vol.49 , pp. 1719
- Gerratt, J.¹ Mills, I.M.²

12
- 84931507903
- (1969) Mol. Phys. , vol.17 , pp. 197
- Pulay, P.¹

13
- 11344256275
- (1970) , vol.18 , pp. 473
- Pulay, P.¹

14
- 11644271710
- Mol. Phys.
- (1971) Mol. Phys. , vol.21 , pp. 329
- Pulay, P.¹

15
- 84987100611
- (1979) Int. J. Quantum Chem. Symp. , vol.13 , pp. 225
- Pople, J.A.¹ Krishnan, R.² Schlegel, H.B.³ Binkley, J.S.⁴

16
- 36749109220
- (1983) J. Chem. Phys. , vol.78 , pp. 5043
- Pulay, P.¹

17
- 4243715710
- (1984) Chem. Phys. Lett. , vol.109 , pp. 388
- Dykstra, C.E.¹ Jasien, P.G.²

18
- 36549102995
- (1986) J. Chem. Phys. , vol.85 , pp. 976
- Sekino, H.¹ Bartlett, R.J.²

19
- 0009965936
- (1986) J. Chem. Phys. , vol.85 , pp. 5132
- Gaw, J.F.¹ Yamaguchi, Y.² Schaefer, H.F.³ Handy, N.C.⁴

20
- 0011740672
- edited by P. Jorgensen and J. Simons (Reidel, Amsterdam)
- (1986) Geometrical Derivatives of Energy Surfaces and Molecular Properties

21
- 0000011224
- (1976) J. Chem. Phys. , vol.64 , pp. 2216
- Nee, T.S.¹ Parr, R.G.² Bartlett, R.J.³

22
- 5344224326
- (1980) Chem. Phys. Lett. , vol.70 , pp. 311
- Epstein, S.T.¹

23
- 36549102858
- (1986) J. Chem. Phys. , vol.84 , pp. 5645
- King, H.F.¹ Komornicki, A.²

24
- 10844264917
- (1986) Chem. Rev. , vol.86 , pp. 681
- Davidson, E.R.¹ Feller, D.²

25
- 0001438114
- (1985) J. Chem. Phys. , vol.82 , pp. 4120
- Dykstra, C.E.¹

26
- 0010380429
- (1986) J. Chem. Phys. , vol.85 , pp. 2077
- Liu, S.-Y.¹ Dykstra, C.E.² Kolenbrander, K.³ Lisy, J.M.⁴

27
- 11344254295
- (1987) J. Phys. Chem. , vol.91 , pp. 1749
- Liu, S.-Y.¹ Dykstra, C.E.²

28
- 33750726859
- (1987) Chem. Phys. Lett. , vol.136 , pp. 575
- Sylvain, M.G.¹ Csizmadia, I.G.²

29
- 0000899151
- (1981) J. Chem. Phys. , vol.74 , pp. 5216
- Lazzeretti, P.¹ Zanasi, R.²

30
- 36749119370
- (1976) J. Chem. Phys. , vol.65 , pp. 111
- Dupuis, M.¹ Rys, J.² King, H.F.³

31
- 84950548153
- HONDO(7.0), available from QCPE, Indiana University.
- Dupuis, M.¹ Watts, J.D.² Villar, H.O.³ Hurst, G.J.B.⁴

32
- 0002915517
- (1987) Theor. Chim. Acta , vol.71 , pp. 91
- Dupuis, M.¹ Watts, J.D.²

33
- 33845377422
- (1985) J. Phys. Chem. , vol.89 , pp. 4426
- Clementi, E.¹

34
- 36549097020
- (1988) J. Chem. Phys. , vol.88 , pp. 1003
- Villar, H.O.¹ Dupuis, M.² Watts, J.D.³ Hurst, G.J.B.⁴ Clementi, E.⁵

35
- 84950548152
- edited by K. F. Jensen and D. G. Truhlar, ACS Symp. Ser. 353 (American Chemical Society, Washington, DC)
- (1987) Supercomputer Research in Chemistry and Chemical Engineering
- Dupuis, M.¹ Villar, H.O.² Clementi, E.³

36
- 25744458563
- (1988) Phys. Rev. B , vol.37 , pp. 2520
- Villar, H.O.¹ Dupuis, M.² Clementi, E.³

37
- 85034879472
- (to be published)
- J. Chem. Phys.
- Villar, H.O.¹ Dupuis, M.² Clementi, E.³

38
- 0000141448
- (1971) J. Chem. Phys. , vol.54 , pp. 724
- Ditchfield, R.¹ Hehre, W.J.² Pople, J.A.³

39
- 11744283687
- (1969) J. Chem. Phys. , vol.51 , pp. 2657
- Hehre, W.J.¹ Stewart, R.F.² Pople, J.A.³

40
- 0000604303
- (1978) J. Chem. Phys. , vol.69 , pp. 5438
- Ward, J.F.¹ Elliott, D.S.²

41
- 84950548154
- (in press)
- J. Comp. Chem.
- Hurst, G.J.B.¹ Dupuis, M.²

42
- 0003965863
- p. E-70. 66th ed., edited by R. C. Weast, M. J. Astle and W. H. Beyer (CRC, Boca Raton)
- (1985) Handbook of Chemistry and Physics

43
- 0003558901
- edited by D. S. Chemla and J. Zyss (Academic, Orlando)
- (1987) Nonlinear Optical Properties of Organic Molecules and Crystals , vol.I
- Zyss, J.¹ Chemla, D.S.²

44
- 84950548125
- edited by D. J. Williams, ACS Symp. Ser. 233 (American Chemical Society, Washington, DC)
- (1985) Nonlinear Optical Properties of Organic and Polymeric Materials
- Meredith, G.R.¹

45
- 84950548130
- edited by D. J. Williams, ACS Symp. Ser. 233 (American Chemical Society, Washington, DC)
- (1985) Nonlinear Optical Properties of Organic and Polymeric Materials
- Flytzanis, C.¹

46
- 84950548131
- edited by D. J. Williams, ACS Symp. Ser. 233 (American Chemical Society, Washington, DC)
- (1985) Nonlinear Optical Properties of Organic and Polymeric Materials
- Shand, M.L.¹ Chance, R.R.²

47
- 36749107733
- (1983) J. Chem. Phys. , vol.79 , pp. 6301
- Lundeen, T.¹ Hou, S.-Y.² Nibler, J.W.³

48
- 36549101967
- (1986) J. Chem. Phys. , vol.85 , pp. 3432
- Jameson, C.J.¹ Fowler, P.W.²

49
- 0003558901
- edited by D. S. Chemla and J. Zyss (Academic, Orlando)
- (1987) Nonlinear Optical Properties of Organic Molecules and Crystals , vol.II
- Andre, J.-M.¹ Barbier, C.² Bodart, V.³ Delhalle, J.⁴

50
- 36549097845
- (1986) J. Chem. Phys. , vol.84 , pp. 2726
- Sekino, H.¹ Bartlett, R.J.²

51
- 0001371538
- (1986) J. Chem. Phys. , vol.84 , pp. 4988
- Adamowicz, L.¹ Bartlett, R.J.²

52
- 85024555958
- J. Chem. Phys.
- (1987) J. Chem. Phys. , vol.86 , pp. 7250
- Adamowicz, L.¹ Bartlett, R.J.²

53
- 37049157042
- (1952) Trans. Faraday Soc. , vol.48 , pp. 789
- Davies, P.L.¹

54
- 49549150967
- (1974) Opt. Commun. , vol.10 , pp. 258
- Rustagi, K.C.¹ Ducuing, J.²

55
- 0001358786
- (1987) Chem. Phys. Lett. , vol.140 , pp. 537
- de Melo, C.P.¹ Silbey, R.²

56
- 0001094797
- (1976) Chem. Phys. Lett. , vol.44 , pp. 366
- Agrawal, G.P.¹ Flytzanis, C.²

57
- 0000490970
- (1987) J. Phys. Chem. , vol.91 , pp. 2696
- Beratan, D.N.¹ Nelson Onuchic, J.² Perry, J.W.³

58
- 0001397112
- (1982) Annu. Rev. Phys. Chem. , vol.33 , pp. 443
- Etemad, S.¹ Heeger, A.J.² MacDiarmid, A.G.³

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