SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 84, Issue 24, 2011, Pages

Electronic structure of dye-sensitized TiO 2 clusters from many-body perturbation theory

(5) Marom, Noa a Moussa, Jonathan E a Ren, Xinguo b Tkatchenko, Alexandre b Chelikowsky, James R a

a UNIVERSITY OF TEXAS AT AUSTIN (United States)

b FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84855392192 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.84.245115 Document Type: Article

Times cited : (45)

References (123)

1
- 26944495269
- Solar energy conversion by dye-sensitized photovoltaic cells
- DOI 10.1021/ic0508371
- M. Gratzel, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic0508371 44, 6841 (2005); (Pubitemid 41475956)
- (2005) Inorganic Chemistry , vol.44 , Issue.20 , pp. 6841-6851
- Gratzel, M.¹

2
- 72849124207
- 0001-4842 10.1021/ar900141y
- M. Gratzel, Acc. Chem. Res. 0001-4842 10.1021/ar900141y 42, 1788 (2009).
- (2009) Acc. Chem. Res. , vol.42 , pp. 1788
- Gratzel, M.¹

3
- 78449308548
- CHREAY 0009-2665 10.1021/cr900356p
- A. Hagfeldt, G. Boschloo, L. C. Sun, L. Kloo, and H. Pettersson, Chem. Rev. CHREAY 0009-2665 10.1021/cr900356p 110, 6595 (2010).
- (2010) Chem. Rev. , vol.110 , pp. 6595
- Hagfeldt, A.¹ Boschloo, G.² Sun, L.C.³ Kloo, L.⁴ Pettersson, H.⁵

4
- 57249087391
- 1932-7447 10.1021/jp803310s
- G. Hodes, J. Phys. Chem. C 1932-7447 10.1021/jp803310s 112, 17778 (2008);
- (2008) J. Phys. Chem. C , vol.112 , pp. 17778
- Hodes, G.¹

5
- 33745254765
- 1010-6030 10.1016/j.jphotochem.2005.12.012
- O. Niitsoo, S. K. Sarkar, C. Pejoux, S. Ruhle, D. Cahen, and G. Hodes, J. Photochem. Photobiol. A Chem. 1010-6030 10.1016/j.jphotochem.2005.12.012 181, 306 (2006);
- (2006) J. Photochem. Photobiol. A Chem. , vol.181 , pp. 306
- Niitsoo, O.¹ Sarkar, S.K.² Pejoux, C.³ Ruhle, S.⁴ Cahen, D.⁵ Hodes, G.⁶

6
- 44049088885
- 1932-7447 10.1021/jp711654g
- S. K. Sarkar, G. Hodes, L. Kronik, and H. Cohen, J. Phys. Chem. C 1932-7447 10.1021/jp711654g 112, 6564 (2008).
- (2008) J. Phys. Chem. C , vol.112 , pp. 6564
- Sarkar, S.K.¹ Hodes, G.² Kronik, L.³ Cohen, H.⁴

7
- 65249130669
- 1932-7447 10.1021/jp9006872
- Y. M. Cao, Y. Bai, Q. J. Yu, Y. M. Cheng, S. Liu, D. Shi, F. F. Gao, and P. Wang, J. Phys. Chem. C 1932-7447 10.1021/jp9006872 113, 6290 (2009).
- (2009) J. Phys. Chem. C , vol.113 , pp. 6290
- Cao, Y.M.¹ Bai, Y.² Yu, Q.J.³ Cheng, Y.M.⁴ Liu, S.⁵ Shi, D.⁶ Gao, F.F.⁷ Wang, P.⁸

8
- 79959999560
- ADVMEW 0935-9648 10.1002/adma.201100877
- P. K. Nayak, J. Bisquert, and D. Cahen, Adv. Mater. ADVMEW 0935-9648 10.1002/adma.201100877 23, 2870 (2011).
- (2011) Adv. Mater. , vol.23 , pp. 2870
- Nayak, P.K.¹ Bisquert, J.² Cahen, D.³

9
- 38749112146
- 1549-9618 10.1021/ct700187z
- D. Jacquemin, E. A. Perpete, G. E. Scuseria, I. Ciofini, and C. Adamo, J. Chem. Theory Comput. 1549-9618 10.1021/ct700187z 4, 123 (2008);
- (2008) J. Chem. Theory Comput. , vol.4 , pp. 123
- Jacquemin, D.¹ Perpete, E.A.² Scuseria, G.E.³ Ciofini, I.⁴ Adamo, C.⁵

10
- 61749092912
- 0001-4842 10.1021/ar800163d
- D. Jacquemin, E. A. Perpete, I. Ciofini, and C. Adamo, Acc. Chem. Res. 0001-4842 10.1021/ar800163d 42, 326 (2009);
- (2009) Acc. Chem. Res. , vol.42 , pp. 326
- Jacquemin, D.¹ Perpete, E.A.² Ciofini, I.³ Adamo, C.⁴

11
- 21644471164
- A TD-DFT study of the absorption spectra of fast dye salts
- DOI 10.1016/j.cplett.2005.05.081, PII S0009261405006834
- D. Jacquemin, J. Preat, and E. A. Perpete, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2005.05.081 410, 254 (2005); (Pubitemid 40929410)
- (2005) Chemical Physics Letters , vol.410 , Issue.4-6 , pp. 254-259
- Jacquemin, D.¹ Preat, J.² Perpete, E.A.³

12
- 0037153257
- A theoretical investigation of the ground and excited states of selected Ru and Os polypyridyl molecular dyes
- DOI 10.1021/jp021517v
- J. F. Guillemoles, V. Barone, L. Joubert, and C. Adamo, J. Phys. Chem. A 1089-5639 10.1021/jp021517v 106, 11354 (2002); (Pubitemid 35437528)
- (2002) Journal of Physical Chemistry A , vol.106 , Issue.46 , pp. 11354-11360
- Guillemoles, J.-F.¹ Barone, V.² Joubert, L.³ Adamo, C.⁴

13
- 33947393033
- Calculated optoelectronic properties of ruthenium tris-bipyridine dyes containing oligophenyleneethynylene rigid rod linkers in different chemical environments
- DOI 10.1021/jp064219x
- M. J. Lundqvist, E. Galoppini, G. J. Meyer, and P. Persson, J. Phys. Chem. A 1089-5639 10.1021/jp064219x 111, 1487 (2007); (Pubitemid 46456176)
- (2007) Journal of Physical Chemistry A , vol.111 , Issue.8 , pp. 1487-1497
- Lundqvist, M.J.¹ Galoppini, E.² Meyer, G.J.³ Persson, P.⁴

14
- 38049057789
- 1433-7851 10.1002/anie.200703852
- H. Choi, C. Baik, S. O. Kang, J. Ko, M. S. Kang, M. K. Nazeeruddin, and M. Gratzel, Angew. Chem. Int. Ed. Engl. 1433-7851 10.1002/anie.200703852 47, 327 (2008);
- (2008) Angew. Chem. Int. Ed. Engl. , vol.47 , pp. 327
- Choi, H.¹ Baik, C.² Kang, S.O.³ Ko, J.⁴ Kang, M.S.⁵ Nazeeruddin, M.K.⁶ Gratzel, M.⁷

15
- 28844470918
- Combined experimental and DFT-TDDFT computational study of photoelectrochemical cell ruthenium sensitizers
- DOI 10.1021/ja052467l
- M. K. Nazeeruddin, F. De Angelis, S. Fantacci, A. Selloni, G. Viscardi, P. Liska, S. Ito, T. Bessho, and M. Gratzel, J. Am. Chem. Soc. 0002-7863 10.1021/ja052467l 127, 16835 (2005); (Pubitemid 41772844)
- (2005) Journal of the American Chemical Society , vol.127 , Issue.48 , pp. 16835-16847
- Nazeeruddin, M.K.¹ De Angelis, F.² Fantacci, S.³ Selloni, A.⁴ Viscardi, G.⁵ Liska, P.⁶ Ito, S.⁷ Takeru, B.⁸ Gratzel, M.⁹

16
- 0037104734
- Ground- and excited-state electronic structures of the solar cell sensitizer bis(4,4′-dicarboxylato-2,2′-bipyridine) bis(isothiocyanato)ruthenium( II)
- DOI 10.1021/jp020927g
- J. E. Monat, J. H. Rodriguez, and J. K. McCusker, J. Phys. Chem. A 1089-5639 10.1021/jp020927g 106, 7399 (2002); (Pubitemid 35382584)
- (2002) Journal of Physical Chemistry A , vol.106 , Issue.32 , pp. 7399-7406
- Monat, J.E.¹ Rodriguez, J.H.² McCusker, J.K.³

17
- 0034253705
- Calculation of the absorption wavelength of dyes using time-dependent density-functional theory (TD-DFT)
- DOI 10.1016/S0143-7208(00)00030-9, PII S0143720800000309
- D. Guillaumont and S. Nakamura, Dyes Pigm. 0143-7208 10.1016/S0143- 7208(00)00030-9 46, 85 (2000); (Pubitemid 30661423)
- (2000) Dyes and Pigments , vol.46 , Issue.2 , pp. 85-92
- Guillaumont, D.¹ Nakamura, S.²

18
- 34547950937
- Effect of tetrahydroquinoline dyes structure on the performance of organic dye-sensitized solar cells
- DOI 10.1021/cm070617g
- R. K. Chen, X. C. Yang, H. N. Tian, X. N. Wang, A. Hagfeldt, and L. C. Sun, Chem. Mater. 0897-4756 10.1021/cm070617g 19, 4007 (2007); (Pubitemid 47266094)
- (2007) Chemistry of Materials , vol.19 , Issue.16 , pp. 4007-4015
- Chen, R.¹ Yang, X.² Tian, H.³ Wang, X.⁴ Hagfeldt, A.⁵ Sun, L.⁶

19
- 54249084072
- 1932-7447 10.1021/jp805122z
- S. Hayashi, M. Tanaka, H. Hayashi, S. Eu, T. Umeyama, Y. Matano, Y. Araki, and H. Imahori, J. Phys. Chem. C 1932-7447 10.1021/jp805122z 112, 15576 (2008);
- (2008) J. Phys. Chem. C , vol.112 , pp. 15576
- Hayashi, S.¹ Tanaka, M.² Hayashi, H.³ Eu, S.⁴ Umeyama, T.⁵ Matano, Y.⁶ Araki, Y.⁷ Imahori, H.⁸

20
- 49449088338
- 1932-7447 10.1021/jp802436v
- G. Li, K. J. Jiang, Y. F. Li, S. L. Li, and L. M. Yang, J. Phys. Chem. C 1932-7447 10.1021/jp802436v 112, 11591 (2008).
- (2008) J. Phys. Chem. C , vol.112 , pp. 11591
- Li, G.¹ Jiang, K.J.² Li, Y.F.³ Li, S.L.⁴ Yang, L.M.⁵

21
- 77956583023
- 1549-9618 10.1021/ct100289t
- R. Sanchez-de-Armas, J. O. Lopez, M. A. San-Miguel, J. F. Sanz, P. Ordejon, and M. Pruneda, J. Chem. Theory Comput. 1549-9618 10.1021/ct100289t 6, 2856 (2010);
- (2010) J. Chem. Theory Comput. , vol.6 , pp. 2856
- Sanchez-De-Armas, R.¹ Lopez, J.O.² San-Miguel, M.A.³ Sanz, J.F.⁴ Ordejon, P.⁵ Pruneda, M.⁶

22
- 78651309940
- 1463-9076 10.1039/c0cp00906g
- R. Sanchez-de-Armas, M. A. San-Miguel, J. Oviedo, A. Marquez, and J. F. Sanz, Phys. Chem. Chem. Phys. 1463-9076 10.1039/c0cp00906g 13, 1506 (2011);
- (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 1506
- Sanchez-De-Armas, R.¹ San-Miguel, M.A.² Oviedo, J.³ Marquez, A.⁴ Sanz, J.F.⁵

23
- 84961977844
- 0957-4484 10.1088/0957-4484/19/42/424002
- F. De Angelis, S. Fantacci, and A. Selloni, Nanotechnol. 0957-4484 10.1088/0957-4484/19/42/424002 19, 424002 (2008);
- (2008) Nanotechnol. , vol.19 , pp. 424002
- De Angelis, F.¹ Fantacci, S.² Selloni, A.³

24
- 36448983981
- 2 nanoparticles: The role of sensitizer protonation
- DOI 10.1021/ja076293e
- F. De Angelis, S. Fantacci, A. Selloni, M. K. Nazeeruddin, and M. Gratzel, J. Am. Chem. Soc. 0002-7863 10.1021/ja076293e 129, 14156 (2007); (Pubitemid 350171424)
- (2007) Journal of the American Chemical Society , vol.129 , Issue.46 , pp. 14156-14157
- De Angelis, F.¹ Fantacci, S.² Selloni, A.³ Nazeeruddin, M.K.⁴ Gratzel, M.⁵

25
- 79955553195
- 1932-7447 10.1021/jp111949a
- F. De Angelis, S. Fantacci, E. Mosconi, M. K. Nazeeruddin, and M. Gratzel, J. Phys. Chem. C 1932-7447 10.1021/jp111949a 115, 8825 (2011).
- (2011) J. Phys. Chem. C , vol.115 , pp. 8825
- De Angelis, F.¹ Fantacci, S.² Mosconi, E.³ Nazeeruddin, M.K.⁴ Gratzel, M.⁵

26
- 33750905066
- 2 clusters and nanocrystals
- DOI 10.1002/qua.21088
- M. J. Lundqvist, M. Nilsing, P. Persson, and S. Lunell, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.21088 106, 3214 (2006); (Pubitemid 44726702)
- (2006) International Journal of Quantum Chemistry , vol.106 , Issue.15 , pp. 3214-3234
- Lundqvist, M.J.¹ Nilsing, M.² Persson, P.³ Lunell, S.⁴

27
- 22544458191
- 1520-6106 10.1021/jp050513y
- P. Persson and M. J. Lundqvist, J. Phys. Chem. B 1520-6106 10.1021/jp050513y 109, 11918 (2005);
- (2005) J. Phys. Chem. B , vol.109 , pp. 11918
- Persson, P.¹ Lundqvist, M.J.²

28
- 72749089849
- 1477-9226 10.1039/b910880g
- S. K. Pal, V. Sundstrom, E. Galoppini, and P. Persson, Dalton Trans. 1477-9226 10.1039/b910880g (2009) 10021;
- Dalton Trans. , vol.2009 , pp. 10021
- Pal, S.K.¹ Sundstrom, V.² Galoppini, E.³ Persson, P.⁴

29
- 36248934849
- Influence of the sensitizer adsorption mode on the open-circuit potential of dye-sensitized solar cells
- DOI 10.1021/nl071835b
- F. De Angelis, S. Fantacci, A. Selloni, M. Gratzel, and M. K. Nazeeruddin, Nano. Lett. 1530-6984 10.1021/nl071835b 7, 3189 (2007); (Pubitemid 350132951)
- (2007) Nano Letters , vol.7 , Issue.10 , pp. 3189-3195
- De Angelis, F.¹ Fantacci, S.² Selloni, A.³ Gratzel, M.⁴ Nazeeruddin, M.K.⁵

30
- 77950567089
- 1932-7447 10.1021/jp911663k
- F. De Angelis, S. Fantacci, A. Selloni, M. K. Nazeeruddin, and M. Gratzel, J. Phys. Chem. C 1932-7447 10.1021/jp911663k 114, 6054 (2010).
- (2010) J. Phys. Chem. C , vol.114 , pp. 6054
- De Angelis, F.¹ Fantacci, S.² Selloni, A.³ Nazeeruddin, M.K.⁴ Gratzel, M.⁵

31
- 12344312375
- Electronic structure and spectra of catechol and alizarin in the gas phase and attached to titanium
- DOI 10.1021/jp046342z
- W. R. Duncan and O. V. Prezhdo, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp046342z 109, 365 (2005). (Pubitemid 40120982)
- (2005) Journal of Physical Chemistry B , vol.109 , Issue.1 , pp. 365-373
- Duncan, W.R.¹ Prezhdo, O.V.²

32
- 0012597289
- PRLTAO 0031-9007 10.1103/PhysRevLett.52.997
- E. Runge and E. K. U. Gross, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984);
- (1984) Phys. Rev. Lett. , vol.52 , pp. 997
- Runge, E.¹ Gross, E.K.U.²

33
- 33745778149
- Springer, New York
- M. Marques, A. Rubio, C. A. Ullrich, K. Burke, F. Nogueira, and A. Gross, Time-Dependent Density Functional Theory (Springer, New York, 2006).
- (2006) Time-Dependent Density Functional Theory
- Marques, M.¹ Rubio, A.² Ullrich, C.A.³ Burke, K.⁴ Nogueira, F.⁵ Gross, A.⁶

34
- 0036057017
- RMPHAT 0034-6861 10.1103/RevModPhys.74.601
- G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002).
- (2002) Rev. Mod. Phys. , vol.74 , pp. 601
- Onida, G.¹ Reining, L.² Rubio, A.³

35
- 26144450583
- PRBMDO 1098-0121 10.1103/PhysRevB.23.5048
- J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.23.5048 23, 5048 (1981);
- (1981) Phys. Rev. B , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

36
- 38049123534
- 0034-6861 10.1103/RevModPhys.80.3
- S. Kümmel and L. Kronik, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.80.3 80, 3 (2008).
- (2008) Rev. Mod. Phys. , vol.80 , pp. 3
- Kümmel, S.¹ Kronik, L.²

37
- 42949170910
- Electronic structure of copper phthalocyanine: A comparative density functional theory study
- DOI 10.1063/1.2898540
- N. Marom, O. Hod, G. E. Scuseria, and L. Kronik, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2898540 128, 164107 (2008). (Pubitemid 351620498)
- (2008) Journal of Chemical Physics , vol.128 , Issue.16 , pp. 164107
- Marom, N.¹ Hod, O.² Scuseria, G.E.³ Kronik, L.⁴

38
- 60749114142
- 0947-8396 10.1007/s00339-008-5007-z
- N. Marom and L. Kronik, Appl Phys. A Mater. 0947-8396 10.1007/s00339-008-5007-z 95, 159 (2009).
- (2009) Appl Phys. A Mater. , vol.95 , pp. 159
- Marom, N.¹ Kronik, L.²

39
- 0037159069
- Failure of density-functional theory and time-dependent density-functional theory for large extended π systems
- DOI 10.1063/1.1501131
- Z.-L. Cai, K. Sendt, and J. R. Reimers, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1501131 117, 5543 (2002); (Pubitemid 35170658)
- (2002) Journal of Chemical Physics , vol.117 , Issue.12 , pp. 5543-5549
- Cai, Z.-L.¹ Sendt, K.² Reimers, J.R.³

40
- 0037451468
- 1439-4235 10.1002/cphc.200390047
- S. Grimme and M. Parac, Chem. Phys. Chem. 1439-4235 10.1002/cphc. 200390047 4, 292 (2003).
- (2003) Chem. Phys. Chem. , vol.4 , pp. 292
- Grimme, S.¹ Parac, M.²

41
- 1642335199
- Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin-Bacteriochlorin and Bacteriochlorophyll-Spheroidene Complexes
- DOI 10.1021/ja039556n
- A. Dreuw and M. Head-Gordon, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja039556n 126, 4007 (2004); (Pubitemid 38391893)
- (2004) Journal of the American Chemical Society , vol.126 , Issue.12 , pp. 4007-4016
- Dreuw, A.¹ Head-Gordon, M.²

42
- 0042881198
- 0021-9606 10.1063/1.1590951
- A. Dreuw, J. L. Weisman, and M. Head-Gordon, J. Chem. Phys. 0021-9606 10.1063/1.1590951 119, 2943 (2003);
- (2003) J. Chem. Phys. , vol.119 , pp. 2943
- Dreuw, A.¹ Weisman, J.L.² Head-Gordon, M.³

43
- 0942279182
- JCPSA6 0021-9606 10.1063/1.1633756
- D. J. Tozer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1633756 119, 12697 (2003);
- (2003) J. Chem. Phys. , vol.119 , pp. 12697
- Tozer, D.J.¹

44
- 70349755618
- 0166-1280 10.1016/j.theochem.2009.04.021
- T. Ziegler, M. Seth, M. Krykunov, J. Autschbach, and F. Wang, J. Mol. Struct.: Theochem 0166-1280 10.1016/j.theochem.2009.04.021 914, 106 (2009).
- (2009) J. Mol. Struct.: Theochem , vol.914 , pp. 106
- Ziegler, T.¹ Seth, M.² Krykunov, M.³ Autschbach, J.⁴ Wang, F.⁵

45
- 73649101299
- JCPSA6 0021-9606 10.1063/1.3269029
- T. Stein, L. Kronik, and R. Baer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3269029 131, 244119 (2009).
- (2009) J. Chem. Phys. , vol.131 , pp. 244119
- Stein, T.¹ Kronik, L.² Baer, R.³

46
- 25544479230
- PRBMDO 1098-0121 10.1103/PhysRevB.34.5390
- M. S. Hybertsen and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.34.5390 34, 5390 (1986).
- (1986) Phys. Rev. B , vol.34 , pp. 5390
- Hybertsen, M.S.¹ Louie, S.G.²

47
- 36149016819
- PLRAAN 0031-899X 10.1103/PhysRev.139.A796
- L. Hedin, Phys. Rev. A PLRAAN 0031-899X 10.1103/PhysRev.139.A796 139 796 (1965);
- (1965) Phys. Rev. A , vol.139 , pp. 796
- Hedin, L.¹

48
- 1542388160
- 0034-4885 10.1088/0034-4885/61/3/002
- F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. 0034-4885 10.1088/0034-4885/61/3/002 61, 237 (1998).
- (1998) Rep. Prog. Phys. , vol.61 , pp. 237
- Aryasetiawan, F.¹ Gunnarsson, O.²

49
- 4243810484
- 1098-0121 10.1103/PhysRevB.62.4927
- M. Rohlfing and S. G. Louie, Phys. Rev. B 1098-0121 10.1103/PhysRevB.62. 4927 62, 4927 (2000).
- (2000) Phys. Rev. B , vol.62 , pp. 4927
- Rohlfing, M.¹ Louie, S.G.²

50
- 43049103439
- PRBMDO 1098-0121 10.1103/PhysRevB.77.161306
- N. Sai, M. L. Tiago, J. R. Chelikowsky, and F. A. Reboredo, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.161306 77, 161306 (2008);
- (2008) Phys. Rev. B , vol.77 , pp. 161306
- Sai, N.¹ Tiago, M.L.² Chelikowsky, J.R.³ Reboredo, F.A.⁴

51
- 0038218135
- PRBMDO 1098-0121 10.1103/PhysRevB.67.115212
- M. L. Tiago, J. E. Northrup, and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67.115212 67, 115212 (2003);
- (2003) Phys. Rev. B , vol.67 , pp. 115212
- Tiago, M.L.¹ Northrup, J.E.² Louie, S.G.³

52
- 69549086153
- 0021-9606 10.1063/1.3204938
- M. Palummo, C. Hogan, F. Sottile, P. Bagala, and A. Rubio, J. Chem. Phys. 0021-9606 10.1063/1.3204938 131, 084102 (2009);
- (2009) J. Chem. Phys. , vol.131 , pp. 084102
- Palummo, M.¹ Hogan, C.² Sottile, F.³ Bagala, P.⁴ Rubio, A.⁵

53
- 4243307304
- PRLTAO 0031-9007 10.1103/PhysRevLett.82.1959
- M. Rohlfing and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.1959 82, 1959 (1999).
- (1999) Phys. Rev. Lett. , vol.82 , pp. 1959
- Rohlfing, M.¹ Louie, S.G.²

54
- 0035120981
- High accuracy many-body calculational approaches for excitations in molecules
- DOI 10.1103/PhysRevLett.86.472
- J. C. Grossman, M. Rohlfing, L. Mitas, S. G. Louie, and M. L. Cohen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.472 86, 472 (2001). (Pubitemid 32136485)
- (2001) Physical Review Letters , vol.86 , Issue.3 , pp. 472-475
- Grossman, J.C.¹ Rohlfing, M.² Mitas, L.³ Louie, S.G.⁴ Cohen, M.L.⁵

55
- 25644438484
- First-principles GW-BSE excitations in organic molecules
- DOI 10.1016/j.ssc.2005.08.012, PII S003810980500712X
- M. L. Tiago and J. R. Chelikowsky, Solid State Commun. SSCOA4 0038-1098 10.1016/j.ssc.2005.08.012 136, 333 (2005). (Pubitemid 41382572)
- (2005) Solid State Communications , vol.136 , Issue.6 , pp. 333-337
- Tiago, M.L.¹ Chelikowsky, J.R.²

56
- 77956685928
- PRBMDO 1098-0121 10.1103/PhysRevB.82.045207
- L. Chiodo, J. M. Garcia-Lastra, A. Iacomino, S. Ossicini, J. Zhao, H. Petek, and A. Rubio, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.045207 82, 045207 (2010);
- (2010) Phys. Rev. B , vol.82 , pp. 045207
- Chiodo, L.¹ Garcia-Lastra, J.M.² Iacomino, A.³ Ossicini, S.⁴ Zhao, J.⁵ Petek, H.⁶ Rubio, A.⁷

57
- 77957551459
- PRBMDO 1098-0121 10.1103/PhysRevB.82.085203
- W. Kang and M. S. Hybertsen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.085203 82, 085203 (2010);
- (2010) Phys. Rev. B , vol.82 , pp. 085203
- Kang, W.¹ Hybertsen, M.S.²

58
- 80052411043
- PRBMDO 1098-0121 10.1103/PhysRevB.84.073404
- G. Giorgi, M. Palummo, L. Chiodo, and K. Yamashita, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.073404 84, 073404 (2011).
- (2011) Phys. Rev. B , vol.84 , pp. 073404
- Giorgi, G.¹ Palummo, M.² Chiodo, L.³ Yamashita, K.⁴

59
- 77955151640
- PRBMDO 1098-0121 10.1103/PhysRevB.81.125201
- T. Kotani and M. van Schilfgaarde, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.125201 81, 125201 (2010);
- (2010) Phys. Rev. B , vol.81 , pp. 125201
- Kotani, T.¹ Van Schilfgaarde, M.²

60
- 77956325731
- PRBMDO 1098-0121 10.1103/PhysRevB.81.245120
- A. Svane, N. E. Christensen, M. Cardona, A. N. Chantis, M. van Schilfgaarde, and T. Kotani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81. 245120 81, 245120 (2010);
- (2010) Phys. Rev. B , vol.81 , pp. 245120
- Svane, A.¹ Christensen, N.E.² Cardona, M.³ Chantis, A.N.⁴ Van Schilfgaarde, M.⁵ Kotani, T.⁶

61
- 77957587748
- PRBMDO 1098-0121 10.1103/PhysRevB.82.115102
- A. Svane, N. E. Christensen, I. Gorczyca, M. van Schilfgaarde, A. N. Chantis, and T. Kotani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.115102 82, 115102 (2010);
- (2010) Phys. Rev. B , vol.82 , pp. 115102
- Svane, A.¹ Christensen, N.E.² Gorczyca, I.³ Van Schilfgaarde, M.⁴ Chantis, A.N.⁵ Kotani, T.⁶

62
- 70350391614
- PRLTAO 0031-9007 10.1103/PhysRevLett.103.176403
- F. Bruneval, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103. 176403 103, 176403 (2009);
- (2009) Phys. Rev. Lett. , vol.103 , pp. 176403
- Bruneval, F.¹

63
- 33745737939
- Effect of self-consistency on quasiparticles in solids
- DOI 10.1103/PhysRevB.74.045102
- F. Bruneval, N. Vast, and L. Reining, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.045102 74, 045102 (2006); (Pubitemid 44015533)
- (2006) Physical Review B - Condensed Matter and Materials Physics , vol.74 , Issue.4 , pp. 045102
- Bruneval, F.¹ Vast, N.² Reining, L.³

64
- 77953762570
- PRBMDO 1098-0121 10.1103/PhysRevB.81.085103
- C. Rostgaard, K. W. Jacobsen, and K. S. Thygesen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.085103 81, 085103 (2010);
- (2010) Phys. Rev. B , vol.81 , pp. 085103
- Rostgaard, C.¹ Jacobsen, K.W.² Thygesen, K.S.³

65
- 79961066644
- PRBMDO 1098-0121 10.1103/PhysRevB.83.115108
- M. Strange, C. Rostgaard, H. Hakkinen, and K. S. Thygesen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.115108 83, 115108 (2011).
- (2011) Phys. Rev. B , vol.83 , pp. 115108
- Strange, M.¹ Rostgaard, C.² Hakkinen, H.³ Thygesen, K.S.⁴

66
- 0037120381
- PRLTAO 0031-9007 10.1103/PhysRevLett.89.126401
- W. Ku and A. G. Eguiluz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.126401 89, 126401 (2002).
- (2002) Phys. Rev. Lett. , vol.89 , pp. 126401
- Ku, W.¹ Eguiluz, A.G.²

67
- 77949366421
- JACSAT 0002-7863 10.1021/ja909600w
- J. B. Benedict and P. Coppens, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja909600w 132, 2938 (2010).
- (2010) J. Am. Chem. Soc. , vol.132 , pp. 2938
- Benedict, J.B.¹ Coppens, P.²

68
- 70149102016
- CPHCBZ 0010-4655 10.1016/j.cpc.2009.06.022
- V. Blum, R. Gehrke, F. Hanke, P. Havu, V. Havu, X. Ren, K. Reuter, and M. Scheffler, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2009.06.022 180, 2175 (2009).
- (2009) Comput. Phys. Commun. , vol.180 , pp. 2175
- Blum, V.¹ Gehrke, R.² Hanke, F.³ Havu, P.⁴ Havu, V.⁵ Ren, X.⁶ Reuter, K.⁷ Scheffler, M.⁸

69
- 70349236830
- JCTPAH 0021-9991 10.1016/j.jcp.2009.08.008
- V. Havu, V. Blum, P. Havu, and M. Scheffler, J. Comput. Phys. JCTPAH 0021-9991 10.1016/j.jcp.2009.08.008 228, 8367 (2009).
- (2009) J. Comput. Phys. , vol.228 , pp. 8367
- Havu, V.¹ Blum, V.² Havu, P.³ Scheffler, M.⁴

70
- 4243943295
- PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996);
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

71
- 4944232881
- PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396 78, 1396 (1997).
- (1997) Phys. Rev. Lett. , vol.78 , pp. 1396
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

72
- 61349180195
- PRLTAO 0031-9007 10.1103/PhysRevLett.102.073005
- A. Tkatchenko and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.073005 102, 073005 (2009);
- (2009) Phys. Rev. Lett. , vol.102 , pp. 073005
- Tkatchenko, A.¹ Scheffler, M.²

73
- 77950142475
- 1549-9618 10.1021/ct900410j
- N. Marom, A. Tkatchenko, M. Scheffler, and L. Kronik, J. Chem. Theory Comput. 1549-9618 10.1021/ct900410j 6, 81 (2010);
- (2010) J. Chem. Theory Comput. , vol.6 , pp. 81
- Marom, N.¹ Tkatchenko, A.² Scheffler, M.³ Kronik, L.⁴

74
- 83455244831
- N. Marom, A. Tkatchenko, M. Rossi, V. V. Gobre, O. Hod, M. Scheffler, and L. Kronik, J. Chem. Theory Comput., doi: 10.1021/ct2005616 (2011).
- (2011) J. Chem. Theory Comput.
- Marom, N.¹ Tkatchenko, A.² Rossi, M.³ Gobre, V.V.⁴ Hod, O.⁵ Scheffler, M.⁶ Kronik, L.⁷

75
- 84855373233
- X. Ren, P. Rinke, V. Blum, J. Wieferink, A. Tkatchenko, A. Sanfilipo, K. Reuter, and M. Scheffler, to be published
- X. Ren, P. Rinke, V. Blum, J. Wieferink, A. Tkatchenko, A. Sanfilipo, K. Reuter, and M. Scheffler, to be published.

76
- 0000193939
- PRLTAO 0031-9007 10.1103/PhysRevLett.74.1827
- H. N. Rojas, R. W. Godby, and R. J. Needs, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.1827 74, 1827 (1995).
- (1995) Phys. Rev. Lett. , vol.74 , pp. 1827
- Rojas, H.N.¹ Godby, R.W.² Needs, R.J.³

77
- 51649083544
- PRLTAO 0031-9007 10.1103/PhysRevLett.101.106404
- R. Gomez-Abal, X. Z. Li, M. Scheffler, and C. Ambrosch-Draxl, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.106404 101, 106404 (2008);
- (2008) Phys. Rev. Lett. , vol.101 , pp. 106404
- Gomez-Abal, R.¹ Li, X.Z.² Scheffler, M.³ Ambrosch-Draxl, C.⁴

78
- 33745737041
- Elimination of the linearization error in GW calculations based on the linearized augmented-plane-wave method
- DOI 10.1103/PhysRevB.74.045104
- C. Friedrich, A. Schindlmayr, S. Blugel, and T. Kotani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.045104 74, 045104 (2006); (Pubitemid 44015527)
- (2006) Physical Review B - Condensed Matter and Materials Physics , vol.74 , Issue.4 , pp. 045104
- Friedrich, C.¹ Schindlmayr, A.² Blugel, S.³ Kotani, T.⁴

79
- 33745784821
- Implementation and performance of the frequency-dependent GW method within the PAW framework
- DOI 10.1103/PhysRevB.74.035101
- M. Shishkin and G. Kresse, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.035101 74, 035101 (2006); (Pubitemid 44018062)
- (2006) Physical Review B - Condensed Matter and Materials Physics , vol.74 , Issue.3 , pp. 035101
- Shishkin, M.¹ Kresse, G.²

80
- 2342418884
- PRBMDO 1098-0121 10.1103/PhysRevB.69.125212
- M. L. Tiago, S. Ismail-Beigi, and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.125212 69, 125212 (2004);
- (2004) Phys. Rev. B , vol.69 , pp. 125212
- Tiago, M.L.¹ Ismail-Beigi, S.² Louie, S.G.³

81
- 33846386880
- PRBMDO 1098-0121 10.1103/PhysRevB.74.245125
- M. van Schilfgaarde, T. Kotani, and S. V. Faleev, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.245125 74, 245125 (2006);
- (2006) Phys. Rev. B , vol.74 , pp. 245125
- Van Schilfgaarde, M.¹ Kotani, T.² Faleev, S.V.³

82
- 85038320592
- PRLTAO 0031-9007 10.1103/PhysRevLett.93.249702
- W. Ku and A. G. Eguiluz, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.249702 93, 249702 (2004);
- (2004) Phys. Rev. Lett. , vol.93 , pp. 249702
- Ku, W.¹ Eguiluz, A.G.²

83
- 11844277051
- Comment on "band-gap problem in semiconductors revisited: Effects of core states and many-body self-consistency"
- DOI 10.1103/PhysRevLett.93.249701, 249701
- K. Delaney, P. Garcia-Gonzalez, A. Rubio, P. Rinke, and R. W. Godby, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.249701 93, 249701 (2004); (Pubitemid 40086722)
- (2004) Physical Review Letters , vol.93 , Issue.24 , pp. 2497011-2497021
- Delaney, K.¹ Garcia-Gonzalez, P.² Rubio, A.³ Rinke, P.⁴ Godby, R.W.⁵ Ku, W.⁶ Eguiluz, A.G.⁷

84
- 58549092133
- PRBMDO 1098-0121 10.1103/PhysRevB.78.245124
- E. Luppi, H. C. Weissker, S. Bottaro, F. Sottile, V. Veniard, L. Reining, and G. Onida, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.245124 78, 245124 (2008).
- (2008) Phys. Rev. B , vol.78 , pp. 245124
- Luppi, E.¹ Weissker, H.C.² Bottaro, S.³ Sottile, F.⁴ Veniard, V.⁵ Reining, L.⁶ Onida, G.⁷

85
- 24144463778
- Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits
- DOI 10.1063/1.1904565, 062201
- J. P. Perdew, A. Ruzsinszky, J. M. Tao, V. N. Staroverov, G. E. Scuseria, and G. I. Csonka, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1904565 123, 062201 (2005); (Pubitemid 41231959)
- (2005) Journal of Chemical Physics , vol.123 , Issue.6 , pp. 1-9
- Perdew, J.P.¹ Ruzsinszky, A.² Tao, J.³ Staroverov, V.N.⁴ Scuseria, G.E.⁵ Csonka, G.I.⁶

86
- 0000284436
- 0021-9606 10.1063/1.478401
- M. Ernzerhof and G. E. Scuseria, J. Chem. Phys. 0021-9606 10.1063/1.478401 110, 5029 (1999);
- (1999) J. Chem. Phys. , vol.110 , pp. 5029
- Ernzerhof, M.¹ Scuseria, G.E.²

87
- 0001475454
- 0021-9606 10.1063/1.478522
- C. Adamo and V. Barone, J. Chem. Phys. 0021-9606 10.1063/1.478522 110, 6158 (1999).
- (1999) J. Chem. Phys. , vol.110 , pp. 6158
- Adamo, C.¹ Barone, V.²

88
- 2942550208
- JCPSA6 0021-9606 10.1063/1.467943
- E. v. Lenthe, E. J. Baerends, and J. G. Snijders, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.467943 101, 9783 (1994).
- (1994) J. Chem. Phys. , vol.101 , pp. 9783
- V. Lenthe, E.¹ Baerends, E.J.² Snijders, J.G.³

89
- 77957603424
- PRLTAO 0031-9007 10.1103/PhysRevLett.105.146401
- B. C. Shih, Y. Xue, P. H. Zhang, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.105.146401 105, 146401 (2010);
- (2010) Phys. Rev. Lett. , vol.105 , pp. 146401
- Shih, B.C.¹ Xue, Y.² Zhang, P.H.³ Cohen, M.L.⁴ Louie, S.G.⁵

90
- 79960982750
- PRBMDO 1098-0121 10.1103/PhysRevB.83.081101
- C. Friedrich, M. C. Muller, and S. Blugel, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.081101 83, 081101 (2011).
- (2011) Phys. Rev. B , vol.83 , pp. 081101
- Friedrich, C.¹ Muller, M.C.² Blugel, S.³

91
- 0343473279
- JCPSA6 0021-9606 10.1063/1.449378
- G. Balducci, G. Gigli, and M. Guido, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.449378 83, 1913 (1985);
- (1985) J. Chem. Phys. , vol.83 , pp. 1913
- Balducci, G.¹ Gigli, G.² Guido, M.³

92
- 0000633285
- 0021-9606 10.1063/1.475026
- H. B. Wu and L. S. Wang, J. Chem. Phys. 0021-9606 10.1063/1.475026 107, 8221 (1997).
- (1997) J. Chem. Phys. , vol.107 , pp. 8221
- Wu, H.B.¹ Wang, L.S.²

93
- 33947263547
- - (n = 1-10) using photoelectron spectroscopy
- DOI 10.1021/ja068601z
- H.-J. Zhai and L.-S. Wang, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja068601z 129, 3022 (2007). (Pubitemid 46417980)
- (2007) Journal of the American Chemical Society , vol.129 , Issue.10 , pp. 3022-3026
- Zhai, H.-J.¹ Wang, L.-S.²

94
- 33847089564
- JACSAT 0002-7863 10.1021/ja00454a015
- F. M. Benoit and A. G. Harrison, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00454a015 99, 3980 (1977).
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 3980
- Benoit, F.M.¹ Harrison, A.G.²

95
- 0000369833
- JMOSB4 0022-2860 10.1016/0022-2860(79)80126-X
- M. H. Palmer, W. Moyes, M. Speirs, and J. N. A. Ridyard, J. Mol. Struct. JMOSB4 0022-2860 10.1016/0022-2860(79)80126-X 52, 293 (1979).
- (1979) J. Mol. Struct. , vol.52 , pp. 293
- Palmer, M.H.¹ Moyes, W.² Speirs, M.³ Ridyard, J.N.A.⁴

96
- 82655172792
- PRBMDO 1098-0121 10.1103/PhysRevB.84.195143
- N. Marom, X. Ren, J. E. Moussa, J. R. Chelikowsky, and L. Kronik, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.195143 84, 195143 (2011).
- (2011) Phys. Rev. B , vol.84 , pp. 195143
- Marom, N.¹ Ren, X.² Moussa, J.E.³ Chelikowsky, J.R.⁴ Kronik, L.⁵

97
- 77956698790
- PRBMDO 1098-0121 10.1103/PhysRevB.82.045108
- H. Jiang, R. I. Gomez-Abal, P. Rinke, and M. Scheffler, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.045108 82, 045108 (2010);
- (2010) Phys. Rev. B , vol.82 , pp. 045108
- Jiang, H.¹ Gomez-Abal, R.I.² Rinke, P.³ Scheffler, M.⁴

98
- 33845506010
- Exact-exchange-based quasiparticle energy calculations for the band gap, effective masses, and deformation potentials of ScN
- DOI 10.1103/PhysRevB.74.245208
- A. Qteish, P. Rinke, M. Scheffler, and J. Neugebauer, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.245208 74, 245208 (2006); (Pubitemid 44917736)
- (2006) Physical Review B - Condensed Matter and Materials Physics , vol.74 , Issue.24 , pp. 245208
- Qteish, A.¹ Rinke, P.² Scheffler, M.³ Neugebauer, J.⁴

99
- 21344438863
- Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound semiconductors
- DOI 10.1088/1367-2630/7/1/126, PII S1367263005911257
- P. Rinke, A. Qteish, J. Neugebauer, C. Freysoldt, and M. Scheffler, New J. Phys. 1367-2630 10.1088/1367-2630/7/1/126 7, 126 (2005); (Pubitemid 40906137)
- (2005) New Journal of Physics , vol.7
- Rinke, P.¹ Qteish, A.² Neugebauer, J.³ Freysoldt, C.⁴ Scheffler, M.⁵

100
- 55649111186
- 0370-1972 10.1002/pssb.200743380
- P. Rinke, A. Qteish, J. Neugebauer, and M. Scheffler, Phys. Status Solidi B 0370-1972 10.1002/pssb.200743380 245, 929 (2008);
- (2008) Phys. Status Solidi B , vol.245 , pp. 929
- Rinke, P.¹ Qteish, A.² Neugebauer, J.³ Scheffler, M.⁴

101
- 33750157355
- Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory
- DOI 10.1063/1.2364469
- P. Rinke, M. Scheffler, A. Qteish, M. Winkelnkemper, D. Bimberg, and J. Neugebauer, Appl. Phys. Lett. 0003-6951 10.1063/1.2364469 89, 161919 (2006); (Pubitemid 44601674)
- (2006) Applied Physics Letters , vol.89 , Issue.16 , pp. 161919
- Rinke, P.¹ Scheffler, M.² Qteish, A.³ Winkelnkemper, M.⁴ Bimberg, D.⁵ Neugebauer, J.⁶

102
- 41749087573
- PRBMDO 1098-0121 10.1103/PhysRevB.77.155107
- F. Fuchs and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.155107 77, 155107 (2008);
- (2008) Phys. Rev. B , vol.77 , pp. 155107
- Fuchs, F.¹ Bechstedt, F.²

103
- 67650065437
- PRBMDO 1098-0121 10.1103/PhysRevB.79.235114
- C. Rodl, F. Fuchs, J. Furthmuller, and F. Bechstedt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.235114 79, 235114 (2009).
- (2009) Phys. Rev. B , vol.79 , pp. 235114
- Rodl, C.¹ Fuchs, F.² Furthmuller, J.³ Bechstedt, F.⁴

104
- 0000058492
- PRBMDO 1098-0121 10.1103/PhysRevB.18.7165
- J. F. Janak, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.18.7165 18, 7165 (1978).
- (1978) Phys. Rev. B , vol.18 , pp. 7165
- Janak, J.F.¹

105
- 0041542504
- 1476-1122 10.1038/nmat704
- L. Kronik, R. Fromherz, E. Ko, G. Gantefor, and J. R. Chelikowsky, Nat. Mater. 1476-1122 10.1038/nmat704 1, 49 (2002);
- (2002) Nat. Mater. , vol.1 , pp. 49
- Kronik, L.¹ Fromherz, R.² Ko, E.³ Gantefor, G.⁴ Chelikowsky, J.R.⁵

106
- 0345600795
- PRBMDO 1098-0121 10.1103/PhysRevB.68.165413
- M. Moseler, B. Huber, H. Häkkinen, U. Landman, G. Wrigge, M. Astruc Hoffmann, and B. v. Issendorff, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.165413 68, 165413 (2003);
- (2003) Phys. Rev. B , vol.68 , pp. 165413
- Moseler, M.¹ Huber, B.² Häkkinen, H.³ Landman, U.⁴ Wrigge, G.⁵ Astruc Hoffmann, M.⁶ V. Issendorff, B.⁷

107
- 28344446504
- Photoelectron spectroscopy as a structural probe of intermediate size clusters
- DOI 10.1063/1.2116907, 204312
- O. Guliamov, L. Kronik, and K. A. Jackson, J. Chem. Phys. 0021-9606 10.1063/1.2116907 123, 204312 (2005). (Pubitemid 41721270)
- (2005) Journal of Chemical Physics , vol.123 , Issue.20 , pp. 1-7
- Guliamov, O.¹ Kronik, L.² Jackson, K.A.³

108
- 79954431134
- 1618-2642 10.1007/s00216-011-4785-x
- M. Vogel, F. Schmitt, J. Sauther, B. Baumann, A. Altenhof, S. Lach, and C. Ziegler, Analytical and Bioanalytical Chemistry 1618-2642 10.1007/s00216-011-4785-x 400, 673 (2011).
- (2011) Analytical and Bioanalytical Chemistry , vol.400 , pp. 673
- Vogel, M.¹ Schmitt, F.² Sauther, J.³ Baumann, B.⁴ Altenhof, A.⁵ Lach, S.⁶ Ziegler, C.⁷

109
- 84855403163
- N. Marom, M. Kim, and J. R. Chelikowsky, to be published
- N. Marom, M. Kim, and J. R. Chelikowsky, to be published.

110
- 10844290434
- 2(110) investigated with valence band photoemission
- DOI 10.1063/1.1802292
- J. N. O'Shea, J. C. Swarbrick, K. Nilson, C. Puglia, B. Brena, Y. Luo, and V. R. Dhanak, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1802292 121, 10203 (2004). (Pubitemid 40001672)
- (2004) Journal of Chemical Physics , vol.121 , Issue.20 , pp. 10203-10208
- O'Shea, J.N.¹ Swarbrick, J.C.² Nilson, K.³ Puglia, C.⁴ Brena, B.⁵ Luo, Y.⁶ Dhanak, V.R.⁷

111
- 77957728653
- PRBMDO 1098-0121 10.1103/PhysRevB.82.129903
- T. Körzdörfer, S. Kümmel, N. Marom, and L. Kronik, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.129903 82, 129903 (2010);
- (2010) Phys. Rev. B , vol.82 , pp. 129903
- Körzdörfer, T.¹ Kümmel, S.² Marom, N.³ Kronik, L.⁴

112
- 67649395952
- PRBMDO 1098-0121 10.1103/PhysRevB.79.201205
- T. Körzdörfer, S. Kümmel, N. Marom, and L. Kronik, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.201205 79, 201205 (2009);
- (2009) Phys. Rev. B , vol.79 , pp. 201205
- Körzdörfer, T.¹ Kümmel, S.² Marom, N.³ Kronik, L.⁴

113
- 79952188336
- 1432-881X 10.1007/s00214-010-0852-1
- D. Stradi, C. Diaz, F. Martin, and M. Alcami, Theor. Chem. Acc. 1432-881X 10.1007/s00214-010-0852-1 128, 497 (2011);
- (2011) Theor. Chem. Acc. , vol.128 , pp. 497
- Stradi, D.¹ Diaz, C.² Martin, F.³ Alcami, M.⁴

114
- 79952519547
- 0021-9606 10.1063/1.3556979
- T. Körzdörfer, J. Chem. Phys. 0021-9606 10.1063/1.3556979 134, 094111 (2011).
- (2011) J. Chem. Phys. , vol.134 , pp. 094111
- Körzdörfer, T.¹

115
- 79961046698
- PRBMDO 1098-0121 10.1103/PhysRevB.83.115123
- C. Faber, C. Attaccalite, V. Olevano, E. Runge, and X. Blase, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.115123 83, 115123 (2011).
- (2011) Phys. Rev. B , vol.83 , pp. 115123
- Faber, C.¹ Attaccalite, C.² Olevano, V.³ Runge, E.⁴ Blase, X.⁵

116
- 69449086950
- JACSAT 0002-7863 10.1021/ja803595u
- S. C. Li, J. G. Wang, P. Jacobson, X. Q. Gong, A. Selloni, and U. Diebold, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja803595u 131, 980 (2009).
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 980
- Li, S.C.¹ Wang, J.G.² Jacobson, P.³ Gong, X.Q.⁴ Selloni, A.⁵ Diebold, U.⁶

117
- 77954740168
- PRBMDO 1098-0121 10.1103/PhysRevB.80.205414
- E. R. McNellis, J. Meyer, and K. Reuter, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.205414 80, 205414 (2009);
- (2009) Phys. Rev. B , vol.80 , pp. 205414
- McNellis, E.R.¹ Meyer, J.² Reuter, K.³

118
- 77953607324
- 0021-9606 10.1063/1.3439691
- K. Tonigold and A. Gross, J. Chem. Phys. 0021-9606 10.1063/1.3439691 132, 224701 (2010).
- (2010) J. Chem. Phys. , vol.132 , pp. 224701
- Tonigold, K.¹ Gross, A.²

119
- 78650814121
- CHPLBC 0009-2614 10.1016/j.cplett.2010.11.007
- J. P. P. Ramalho and F. Illas, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2010.11.007 501, 379 (2011).
- (2011) Chem. Phys. Lett. , vol.501 , pp. 379
- Ramalho, J.P.P.¹ Illas, F.²

120
- 37149043194
- The use of atomic intrinsic polarizabilities in the evaluation of the dispersion energy
- DOI 10.1063/1.2805391
- A. Olasz, K. Vanommeslaeghe, A. Krishtal, T. Veszpremi, C. Van Alsenoy, and P. Geerlings, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2805391 127, 224105 (2007); (Pubitemid 350262196)
- (2007) Journal of Chemical Physics , vol.127 , Issue.22 , pp. 224105
- Olasz, A.¹ Vanommeslaeghe, K.² Krishtal, A.³ Veszprmi, T.⁴ Van Alsenoy, C.⁵ Geerlings, P.⁶

121
- 34547602661
- Uniqueness and basis set dependence of iterative Hirshfeld charges
- DOI 10.1016/j.cplett.2007.07.014, PII S000926140700930X
- P. Bultinck, P. W. Ayers, S. Fias, K. Tiels, and C. Van Alsenoy, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2007.07.014 444, 205 (2007); (Pubitemid 47198608)
- (2007) Chemical Physics Letters , vol.444 , Issue.1-3 , pp. 205-208
- Bultinck, P.¹ Ayers, P.W.² Fias, S.³ Tiels, K.⁴ Van Alsenoy, C.⁵

122
- 34247193113
- Critical analysis and extension of the Hirshfeld atoms in molecules
- DOI 10.1063/1.2715563
- P. Bultinck, C. Van Alsenoy, P. W. Ayers, and R. Carbo-Dorca, J. Chem. Phys. 0021-9606 10.1063/1.2715563 126, 144111 (2007). (Pubitemid 46609992)
- (2007) Journal of Chemical Physics , vol.126 , Issue.14 , pp. 144111
- Bultinck, P.¹ Van Alsenoy, C.² Ayers, P.W.³ Carbo-Dorca, R.⁴

123
- 79961135767
- 1528-7483 10.1021/cg200409d
- N. Marom, A. Tkatchenko, S. Kapishnikov, L. Kronik, and L. Leiserowitz, Cryst. Growth Des. 1528-7483 10.1021/cg200409d 11, 3332 (2011).
- (2011) Cryst. Growth Des. , vol.11 , pp. 3332
- Marom, N.¹ Tkatchenko, A.² Kapishnikov, S.³ Kronik, L.⁴ Leiserowitz, L.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.