SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 116, Issue 22, 2002, Pages 9624-9640

Efficient methods to calculate dynamic hyperpolarizability tensors by time-dependent density-functional theory

(3) Heinze, Habbo Hait a Sala, Fabio Della a Görling, Andreas a

a TECHNICAL UNIVERSITY OF MUNICH (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; ELECTRONIC DENSITY OF STATES; FREQUENCY DOMAIN ANALYSIS; GROUND STATE; POLARIZATION; PROBABILITY DENSITY FUNCTION; TENSORS; TIME DOMAIN ANALYSIS;

HYPERPOLARIZABILITY;

MOLECULAR DYNAMICS;

EID: 0037042593 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1476014 Document Type: Article

Times cited : (30)

References (60)

1
- 0003893678
- Wiley, New York
- (1984) The Principles of Nonlinear Optics
- Shen, Y.¹

2
- 0043231303
- (1990) Rev. Mod. Phys. , vol.62 , pp. 343
- Bishop, D.¹

3
- 0026119402
- (1991) IEEE J. Quantum Electron. , vol.27 , pp. 778
- Van Tomme, E.¹ Van Daele, P.P.² Baets, R.G.³ Lagasse, P.E.⁴

4
- 0003980627
- Academic, New York
- (1992) Nonlinear Optics
- Boyd, R.¹

5
- 0003519459
- Academic, New York
- (1992) Advances in Physical Organic Chemistry , vol.32 , pp. 121
- Wolff, J.¹ Wortmann, R.²

6
- 0040737033
- Academic, New York
- (1994) Advances in Quantum Chemistry , vol.25 , pp. 1
- Bishop, D.¹

7
- 0142175456
- (1994) Chem. Rev. , vol.94 , pp. 195
- Kanis, D.¹ Ratner, M.² Marks, T.³

8
- 0003762222
- Academic, San Diego
- (2000) Handbook of Advances Electronic and Photonic Materials
- Bishop, D.¹ Norman, P.²

9
- 0003617480
- Springer, Berlin
- (2000) Nonlinear Optical Effects and Materials
- Günter, P.¹

10
- 0003569570
- Oxford University Press, Oxford
- (1989) Density-Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

11
- 0003398526
- Springer, Heidelberg
- (1990) Density Functional Theory
- Dreizler, R.M.¹ Gross, E.K.U.²

12
- 0003838469
- Wiley-VCH, New York
- (2000) A Chemist's Guide to Density Functional Theory
- Koch, W.¹ Holthausen, M.C.²

13
- 0012597289
- (1984) Phys. Rev. Lett. , vol.52 , pp. 997
- Runge, E.¹ Gross, E.K.U.²

14
- 0001157659
- edited by D. P. Chong (World Scientific, Singapore)
- (1995) Recent Advances in Density Functional Methods , vol.1 , pp. 155
- Casida, M.E.¹

15
- 0003628235
- Density Functional Theory II, edited by R. F. Nalewajski (Springer, Heidelberg)
- (1996) Springer Series in Topics in Current Chemistry , vol.181 , pp. 81
- Gross, E.K.U.¹ Dobson, J.F.² Petersilka, M.³

16
- 0000216088
- (1996) Phys. Rev. A , vol.53 , pp. 1316
- Colwell, S.M.¹ Handy, N.C.² Lee, A.M.³

17
- 10844284893
- (1995) J. Chem. Phys. , vol.103 , pp. 9347
- Van Gisbergen, S.J.A.¹ Snijders, J.G.² Baerends, E.J.³

18
- 0011143186
- (1996) J. Chem. Phys. , vol.104 , pp. 5134
- Jamorski, C.¹ Casida, M.E.² Salahub, D.R.³

19
- 0002877808
- edited by J. M. Seminario (Elsevier, Amsterdam)
- (1996) Recent Developments and Application of Modern Density Functional Theory , pp. 391
- Casida, M.E.¹

20
- 0030570285
- (1996) Chem. Phys. Lett. , vol.256 , pp. 454
- Bauernschmitt, R.¹ Ahlrichs, R.²

21
- 0032533083
- (1998) J. Chem. Phys. , vol.109 , pp. 8218
- Stratmann, R.E.¹ Scuseria, G.E.² Frisch, M.J.³

22
- 0037889247
- (1999) J. Chem. Phys. , vol.110 , pp. 2785
- Görling, A.¹ Heinze, H.H.² Ruzankin, S.P.³ Staufer, M.⁴ Rösch, N.⁵

23
- 0034245554
- (2000) J. Chem. Phys. , vol.113 , pp. 2088
- Heinze, H.H.¹ Görling, A.² Rösch, N.³

24
- 85007270034
- Dissertation (Technische Universität München 2000)
- Heinze, H.H.¹

25
- 0000136207
- (1999) Chem. Phys. Lett. , vol.302 , pp. 375
- Hirata, S.¹ Head-Gordon, M.²

26
- 0001518180
- (1999) Mol. Phys. , vol.97 , pp. 859
- Tozer, D.J.¹ Amos, R.D.² Handy, N.C.³ Roos, B.O.⁴ Serrano-Andre's, L.⁵

27
- 0002805577
- (1999) Int. J. Quantum Chem. , vol.75 , pp. 55
- Yabana, K.¹ Bertsch, G.F.²

28
- 4243423796
- (1997) Phys. Rev. Lea. , vol.78 , pp. 3097
- Gisbergen, S.J.A.V.¹ Snijders, J.² Baerends, E.J.³

29
- 0000331904
- (1998) J. Chem. Phys. , vol.109 , pp. 10644
- Gisbergen, S.J.A.V.¹ Snijders, J.² Baerends, E.J.³

30
- 0012100637
- (1999) J. Chem. Phys. , vol.111 , pp. 6652E

31
- 0032558951
- (1998) J. Chem. Phys. , vol.109 , pp. 10657
- Gisbergen, S.J.A.V.¹ Snijders, J.² Baerends, E.J.³

32
- 0035891307
- (2001) J. Chem. Phys. , vol.115 , pp. 8773
- Iwata, J.-I.¹ Yabana, K.² Bertsch, G.F.³

33
- 3342940333
- (1998) Phys. Rev. Lett. , vol.80 , pp. 1280
- Leeuwen, R.V.¹

34
- 6144260420
- (1994) Phys. Rev. A , vol.50 , pp. 3827
- Umrigar, C.J.¹ Gonze, X.²

35
- 3343023108
- (1999) Phys. Rev. Lett. , vol.83 , pp. 694
- Gisbergen, S.J.V.V.¹ Schipper, P.R.T.² Gritsenko, O.V.³ Baerends, E.J.⁴ Snijders, J.G.⁵ Champagne, B.⁶ Kirtman, B.⁷

36
- 0343169730
- (2000) J. Phys. Chem. A , vol.104 , pp. 4755
- Champagne, B.¹ Perpete, E.A.² Jacquemin, D.³ Gisbergen, S.J.V.V.⁴ Baerends, E.J.⁵ Kirtman, B.⁶

37
- 5944242890
- (1991) Phys. Rev. Lett. , vol.66 , pp. 2980
- Clays, K.¹ Persoons, A.²

38
- 0031097509
- (1997) J. Phys. Chem. A , vol.101 , pp. 1989
- Woodford, J.N.¹ Pauley, M.A.² Wang, C.H.³

39
- 0000819113
- (1998) J. Chem. Phys. , vol.108 , pp. 8161
- Huyskens, F.¹ Huyskens, P.L.² Persoons, A.P.³

40
- 0000974293
- (1997) Phys. Rev. A , vol.55 , pp. 2630
- Görling, A.¹

41
- 0001111395
- (1998) Int. J. Quantum Chem. , vol.69 , pp. 265
- Görling, A.¹

42
- 2642567877
- (1997) Phys. Rev. A , vol.57 , pp. 3433
- Görling, A.¹

43
- 0035838240
- (2001) Int. J. Mod, Phys. B , vol.15 , pp. 1969
- Leeuwen, R.V.¹

44
- 0001393783
- (1992) J. Chem. Phys. , vol.97 , pp. 7590
- Willetts, A.¹ Rice, J.E.² Burland, D.M.³ Shelton, D.P.⁴

45
- 0004264036
- Technische Universität München
- (1999) PARAGAUSS 2.0
- Belling, T.¹ Grauschopf, T.² Krüger, S.³ Nörtemann, F.⁴ Staufer, M.⁵ Mayer, M.⁶ Nasluzov, V.A.⁷ Birkenheuer, U.⁸ Rösch, N.⁹

46
- 85007212787
- Springer, Berlin
- (1999) , pp. 165
- Rösch, N.¹ Krüger, S.² Belling, T.³ Nörtemann, F.⁴ Staufer, M.⁵ Zenger, C.⁶ Granschopf, T.⁷

47
- 0000974024
- (1990) Adv. Quantum Chem. , vol.21 , pp. 317
- Dunlap, B.I.¹ Rösch, N.²

48
- 4243539377
- (1989) Chem. Phys. Lett. , vol.162 , pp. 165
- Ahlrichs, R.¹ Bär, M.² Häser, M.³ Horn, H.⁴ Kölmel, C.⁵

49
- 84988137816
- (1989) J. Comput. Chem. , vol.10 , pp. 104
- Häser, M.¹ Ahlrichs, R.²

50
- 84870538517
- Gaussian, Inc., Pittsburgh PA
- (1998) GAUSSIAN 98
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

51
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

52
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

53
- 1542478809
- (1991) Theor. Chim. Acta , vol.79 , pp. 123
- Sadlej, A.¹

54
- 0001701442
- (1998) Chem. Phys. Lett. , vol.297 , pp. 391
- Pluta, T.¹ Sadlej, A.²

55
- 33748893229
- (1996) J. Phys. Chem. , vol.100 , pp. 16105
- Dickson, R.¹ Becke, A.²

56
- 0000480509
- (1999) Chem. Phys. Lett. , vol.303 , pp. 391
- Cohen, A.J.¹ Handy, N.C.² Tozer, D.J.³

57
- 36449009375
- (1993) J. Chem. Phys. , vol.98 , pp. 3022
- Sekino, H.¹ Bartlett, R.J.²

58
- 0006953798
- (1991) J. Phys. Chem. , vol.95 , pp. 10631
- Cheng, L.¹ Tam, W.² Stevenson, S.³ Meredith, G.⁴ Rikken, G.⁵ Marder, S.⁶

59
- 85007218220
- in press
- J. Comput. Chem.
- Calaminici, P.¹ Jug, K.² Köster, A.M.³ Arbez-Gindre, C.⁴ Screttas, C.G.⁵

60
- 0345872240
- (1997) J. Phys. Chem. B , vol.101 , pp. 1910
- Abe, J.¹ Shirai, Y.² Nemoto, N.³ Nagase, Y.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.