Time-dependent density functional theory

Annual Review of Physical Chemistry

Volumn 55, Issue , 2004, Pages 427-455

  Marques, M A L ^a   Gross, E K U ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Exchange correlation functionals; Linear response theory; Optical absorption spectra; Strong lasers

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; ELECTROMAGNETIC FIELD EFFECTS; ELECTRONIC DENSITY OF STATES; GROUND STATE; LIGHT ABSORPTION; PROBABILITY DENSITY FUNCTION; WAVE EQUATIONS;

EXCHANGE-CORRELATION FUNCTIONALS; LINEAR RESPONSE THEORY; OPTICAL ABSORPTION SPECTRA;

QUANTUM THEORY;

EID: 3342927029     PISSN: 0066426X     EISSN: None     Source Type: Book Series    
DOI: 10.1146/annurev.physchem.55.091602.094449     Document Type: Review

References (120)

1. Hohenberg P, Kohn W. 1964. Phys. Rev. B 136:864
2. Thomas LH. 1927. Proc. Cambridge Philos. Soc. 23:542
3. Fermi E. 1927. Rend. Accad. Naz. Linzei 6:602
4. Fermi E. 1928. Z. Phys. 48:73
5. Kohn W, Sham LJ. 1965. Phys. Rev. A 140:1133
6. Ceperley DM, Alder BJ. 1980. Phys. Rev. Lett. 45:566
7. Parr RG, Yang W. 1989. Density-Functional Theory of Atoms and Molecules. New York: Oxford Univ. Press
8. Dreizler RM, Gross EKU. 1990. Density Functional Theory. Berlin: Springer-Verlag
9. Fiolhais C, Nogueira F, Marques MAL, eds. 2003. A Primer in Density Functional Theory. Lect. Notes Phys., Vol. 620. Berlin: Springer-Verlag
10. Mermin ND. 1965. Phys. Rev. A 137: 1441
11. Oliveira LN, Gross EKU, Kohn W. 1988. Phys. Rev. Lett. 60:2430
12. Kurth S, Marques M, Lüders M, Gross EKU. 1999. Phys. Rev. Lett. 83:2628
13. Rajagopal AK, Callaway J. 1973. Phys. Rev. B 7:1912
14. Dreizler RM, Engel E. 1998. In Density Functionals: Theory and Applications, ed. DP Joubert, pp. 147-89. Berlin: Springer-Verlag
15. Gross EKU, Kohn W. 1990. Adv. Quantum Chem. 21:255
16. Gross EKU, Dobson JF, Petersilka M. 1996. In Topics in Current Chemistry, ed. RF Nalewajski, 181:81. Heidelberg: Springer-Verlag
17. van Leeuwen R. 2001. Int. J. Mod. Phys. B 15:1969
18. Onida G, Reinig L, Rubio A. 2002. Rev. Mod. Phys. 74:601
19. Maitra NT, Burke K, Appel H, Gross EKU, van Leeuwen R. 2002. In Reviews in Modern Quantum Chemistry: A Celebration of the Contributions of R. G. Parr, ed. KD Sen, pp. 1186-225. Singapore: World Sci.
20. Marques MAL, Gross EKU. 2003. See Ref. 9, p. 144
21. Runge E, Gross EKU. 1984. Phys. Rev. Lett. 52:997
22. Ando T. 1977. Z. Phys. B 26:263
23. Zangwill A, Seven P. 1980. Phys. Rev. A 21:1561
24. Maitra NT, Burke K. 2001. Phys. Rev. A 63:042501
25. 24a. Maitra NT, Burke K. 2001. Phys. Rev. A 64:039901
26. Maitra NT, Burke K, Woodward C. 2002. Phys. Rev. Lett. 89:023002
27. Levy M. 1982. Phys. Rev. A 26:1200
28. Levy EH. 1983. Int. J. Quantum Chem. Symp. 24:243
29. van Leeuwen R. 1999, Phys. Rev. Lett. 82:3863
30. Gross EKU, Ullrich CA, Gossman UJ. 1994. In Density Functional Theory, NATO ASI Ser. B, ed. EKU Gross, R Dreizler, 337:149-71. New York: Plenum
31. van Leeuwen R. 1998. Phys. Rev. Lett. 80:1280
32. Keldysh LV. 1965. Sov. Phys. JETP 20:1018
33. Liu K-L, Vosko SH. 1989. Can. J. Phys. 67:1015
34. Perdew JP, Burke K. 1996. Int. J. Quantum Chem. 57:309
35. Perdew JP, Kurth S, Zupan A, Blaha P. 1999. Phys. Rev. Lett. 82:2544; and references therein
36. 34a. Perdew JP, Kurth S, Zupan A, Blaha P. 1999. Phys. Rev. Lett. 82:5179
37. Becke AD. 1983. Int. J. Quantum Chem. 23:1915
38. Becke AD. 1996. J. Chem. Phys. 104: 1040
39. Becke AD. 1998. J. Chem. Phys. 109: 2092
40. Sharp RT, Horton GK. 1953. Phys. Rev. 90:317
41. Grabo T, Kreibich T, Kurth S, Gross EKU. 2000. In Strong Coulomb Correlations in Electronic Structure Calculations: Beyond the Local Density Approximation, ed. VI Anisimov, pp. 203-311. Amsterdam: Gordon & Breach
42. Perdew JP, Zunger A. 1981. Phys. Rev. B 23:5048
43. Seidl M, Perdew JP, Kurth S. 2000. Phys. Rev. Lett. 84:5070
44. van Leeuwen R, Baerends EJ. 1994. Phys. Rev. A 49:2421
45. Ullrich CA, Gossmann U, Gross EKU. 1995. Phys. Rev. Lett. 74:872
46. Krieger JB, Li Y, Iafrate GJ. 1992. Phys. Rev. A 45:101
47. Dobson JF, Bünner MJ, Gross EKU. 1997. Phys. Rev. Lett. 79:1905
48. Almbladh C-O, von Barth U. 1985. Phys. Rev. B 31:3231
49. Gunnarsson O. Lundqvist BI. 1976. Phys. Rev. B 13:4274
50. Görling A. 1999. Phys. Rev. A 59:3359
51. Görling A. 2000. Phys. Rev. Lett. 85:4229
52. Perdew JP, Levy M. 1985. Phys. Rev. B 31:6264
53. Ziegler T, Rauk A, Baerends EJ. 1977. Theor. Chim. Acta 43:261
54. Theophilou A. 1979. J. Phys. C 12:5419
55. Gross EKU, Oliveira LN, Kohn W. 1988. Phys. Rev. A 37:2805
56. Gross EKU, Oliveira LN, Kohn W. 1988. Phys. Rev. A 37:2809
57. Oliveira LN, Gross EKU, Kohn W. 1988. Phys. Rev. A 37:2821
58. Nagy A. 1998. Phys. Rev. A 57:1672
59. Andrejkovics I, Nagy A. 1998. Chem. Phys. Lett. 296:489
60. Kohn W. 1986. Phys. Rev. A 34:737
61. Nagy Á. 1998. Int. J. Quantum Chem. 69: 247
62. Gidopoulos NI, Papaconstantinou PG, Gross EKU. 2002. Phys. Rev. Lett. 88: 033003
63. Yabana K, Bertsch GF. 1996. Phys. Rev. B 54:4484
64. Marques MAL, Castro A, Rubio A. 2001. J. Chem. Phys. 115:3006
65. Serra L, Rubio A. 1997. Phys. Rev. Lett. 78:1428
66. Marques MAL, López X. Varsano D, Castro A, Rubio A. 2003. Phys. Rev. Lett. 90: 258101
67. Gross EKU, Kohn W. 1985. Phys. Rev. Lett. 55:2850
68. Petersilka M, Gossmann UJ, Gross EKU. 1996. Phys. Rev. Lett. 76:1212
69. Petersilka M, Gossmann UJ, Gross EKU. 1998. In Electronic Density Functional Theory: Recent Progress and New Directions, ed. JF Dobson, G Vignale, MP Das, pp. 177-97. New York: Plenum
70. Richardson CF, Ashcroft NW. 1994. Phys. Rev. B 50:8170
71. Corradini M, del Sole R, Onida G, Palummo M. 1998. Phys. Rev. B 57:14569
72. Tokatly IV, Pankratov O.2001, Phys. Rev. Lett. 86:2078
73. Burke K, Petersilka M, Gross EKU. 2002. In Recent Advances in Density Functional Methods, Vol. III, ed. V Varone, P Fantucci, A Bencini, pp. 67-79. Singapore: World Sci.
74. Reining L, Olevano V, Rubio A, Onida G. 2002. Phys. Rev. Lett. 88:066404
75. Grabo T, Petersilka M, Gross EKU. 2000. J. Mol. Struct. (THEOCHEM) 501: 353
76. March NH, Rubio A, Alonso JA. 1999. J. Phys. B 32:2173
77. Petersilka M, Gross EKU, Burke K. 2000. Int. J. Quantum Chem. 80:534
78. Gonze X, Scheffler M. 1999. Phys. Rev. Lett. 82:4416
79. Appel H, Gross EKU, Burke K. 2003. Phys. Rev. Lett. 90:043005
80. Casida M. 1996. In Recent Developments and Applications in Density Functional Theory, ed. JM Seminario, p. 391. Amsterdam: Elsevier
81. Bauemschmitt R, Ahlrichs R. 1996. Chem. Phys. Lett. 256:454
82. Haensel R, Keitel G, Schreiber P, Kunz C. 1969. Phys. Rev. 188:1375
83. Moore CE. 1971. Natl. Stand. Ref. Data Ser. 35, Vol. I-III. Washington, DC: US GPO
84. Vasiliev I, Öǧüt S, Chelikowsky JR. 2002. Phys. Rev. B 65:115416
85. Yabana K, Bertsch GF. 1999. Phys. Rev. A 60:1271
86. Yabana K, Bertsch GF. 1999. Int. J. Quantum Chem. 75:55
87. Castro A, Marques MAL, Alonso JA, Bertsch GF, Yabana K, Rubio A. 2002. J. Chem. Phys. 116:1930
88. Nielsen SB, Lapierre A, Anderson JU, Pedersen UV, Tomita S, Anderson LH. 2001. Phys. Rev. Lett. 87:228102
89. Creemers TMH, Lock A, Subramaniam V, Jovin T, Völker S. 2000. Proc. Natl. Acad. Sci. USA 97:2974
90. Aryasetiawan F, Gunnarson O, Rubio A. 2002. Europhys. Lett. 57:683
91. Gritsenko OV, van Gisbergen SJA, Görling A, Baerends EJ. 2000. J. Chem. Phys. 113:8478
92. van Gisbergen SJA, Kootstra F, Schipper PRT, Gritsenko OV, Snijders JG, Baerends EJ. 1999. Phys. Rev. Lett. 83:694
93. Champagne B, Perpète EA, van Gisbergen SJA, Baerends EJ, Snijders JG, et al. 1998. J. Chem. Phys. 109:10489
94. Gritsenko OV, Baerends EJ. 2001, Phys. Rev. A 64:042506
95. Lautenschlager P, Garriga M, Viña L, Cardona M. 1987. Phys. Rev. B 36: 4821
96. Kim Y-H, Görling A. 2002. Phys. Rev. Lett. 89:096402
97. Resta R. 1994. Rev. Mod. Phys. 66:899
98. Gonze X, Ghosez P, Godby RW. 1995. Phys. Rev. Lett. 74:4035
99. Ortiz G, Souza I, Martin RM. 1998. Phys. Rev. Lett. 80:353
100. Bertsch GF, Iwata JI, Rubio A, Yabana K. 2000. Phys. Rev. B 62:7998
101. Vasiliev I, Öǧüt S, Chelikowsky JR. 1999. Phys. Rev. Lett. 82:1919
102. de Boeij PL, Kootstra F, Berger JA, van Leeuwen R, Snijders JG. 2001. J. Chem. Phys. 115:1995
103. van Faassen M, de Boeij PL, van Leeuwen R, Berger JA, Snijders JG. 2002. Phys. Rev. Lett. 88:186401
104. van Faassen M, de Boeij PL, van Leeuwen R, Berger JA, Snijders JG. 2003. J. Chem. Phys. 108:1044
105. Vignale G. Kohn W. 1996. Phys. Rev. Lett. 77:2037
106. Waidmann S, Knupfer M, Arnold B, Fink J, Reszar A, Hanke W, 2000. Phys. Rev. B 61:10149
107. Chang Z, Rundquist A, Wang H, Murnane MM, Kapteyn HC. 1997. Phys. Rev. Lett. 79:2967
108. Spielmann C, Bumett NH, Sartania S, Koppitsch R, Schnürer M, et al. 1997. Science 278:661
109. Sundaram B, Milonni PW. 1990. Phys. Rev. A 41:6571
110. Kreibich T, Lein M, Engel V, Gross EKU. 2001. Phys. Rev. Lett. 87:103901
111. Miyazaki K, Sakai H. 1992. J. Phys. B 25:L83
112. Ullrich CA, Erhard S, Gross EKU. 1996. In Super Intense Laser Atom Physics (SILAP IV), ed. HG Muller, MV Fedorov, pp. 267-84. Amsterdam: Kluwer
113. Erhard S, Gross EKU. 1997. In Multiphoton Processes 1996, ed. P Lambropoulos, H Walther, pp. 37-46. Bristol: IOP
114. Telnov DA, Wang J, Chu S. 1995. Phys. Rev. A 52:3988
115. Agostini P, Fahre F, Mainfray G, Petite G, Rahman NK. 1979. Phys. Rev. Lett. 42: 1127
116. Walker B, Sheehy B, Di Mauro LF, Agostini P, Schafer KJ, Kulander KC. 1994. Phys. Rev. Lett. 73:1227
117. Petersilka M, Gross EKU. 1999. Laser Phys. 9:105
118. Becke AD, Edgecombe KE. 1990. J. Chem. Phys. 92:5397
119. Savin A, Nesper R, Wengert S, Fässler TF. 1997. Angew. Chem. Int. Ed. Engl. 36:1808
120. Silvi B, Savin A. 1994. Nature 371:683