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Physical Review B - Condensed Matter and Materials Physics

Volumn 87, Issue 20, 2013, Pages

Analysis of van der Waals density functional components: Binding and corrugation of benzene and C60 on boron nitride and graphene

(2) Berland, Kristian a Hyldgaard, Per a

a CHALMERS UNIVERSITY OF TECHNOLOGY (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84877900276 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.87.205421 Document Type: Article

Times cited : (106)

References (131)

1
- 68549107787
- JCPSA6 0021-9606 10.1063/1.3193462
- A. K. Kelkkanen, B. I. Lundqvist, and J. K. Nørskov, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3193462 131, 046102 (2009).
- (2009) J. Chem. Phys. , vol.131 , pp. 046102
- Kelkkanen, A.K.¹ Lundqvist, B.I.² Nørskov, J.K.³

2
- 82555186139
- JPCBFK 1520-6106 10.1021/jp2040345
- A. Møgelhøj, A. K. Kelkkanen, K. T. Wikfeldt, J. Schiotz, J. J. Mortensen, L. G. M. Pettersson, B. I. Lundqvist, K. W. Jacobsen, A. Nilsson, and J. K. Nørskov, J. Phys. Chem. B JPCBFK 1520-6106 10.1021/jp2040345 115, 14149 (2011).
- (2011) J. Phys. Chem. B , vol.115 , pp. 14149
- Møgelhøj, A.¹ Kelkkanen, A.K.² Wikfeldt, K.T.³ Schiotz, J.⁴ Mortensen, J.J.⁵ Pettersson, L.G.M.⁶ Lundqvist, B.I.⁷ Jacobsen, K.W.⁸ Nilsson, A.⁹ Nørskov, J.K.¹⁰

3
- 44449138143
- An application of the van der Waals density functional: Hydrogen bonding and stacking interactions between nucleobases
- DOI 10.1063/1.2924133
- V. R. Cooper, T. Thonhauser, and D. C. Langreth, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2924133 128, 204102 (2008). (Pubitemid 351770612)
- (2008) Journal of Chemical Physics , vol.128 , Issue.20 , pp. 204102
- Cooper, V.R.¹ Thonhauser, T.² Langreth, D.C.³

4
- 34548747420
- 1098-0121 10.1103/PhysRevB.76.100201
- J. Kleis, B. I. Lundqvist, D. C. Langreth, and E. Schröder, Phys. Rev. B 1098-0121 10.1103/PhysRevB.76.100201 76, 100201 (R) (2007).
- (2007) Phys. Rev. B , vol.76 , pp. 100201
- Kleis, J.¹ Lundqvist, B.I.² Langreth, D.C.³ Schröder, E.⁴

5
- 77954603797
- JCPSA6 0021-9606 10.1063/1.3366652
- K. Berland and P. Hyldgaard, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3366652 132, 134705 (2010).
- (2010) J. Chem. Phys. , vol.132 , pp. 134705
- Berland, K.¹ Hyldgaard, P.²

6
- 45349104339
- PRBMDO 1098-0121 10.1103/PhysRevB.77.245316
- D. Nabok, P. Puschnig, and C. Ambrosch-Draxl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.245316 77, 245316 (2008).
- (2008) Phys. Rev. B , vol.77 , pp. 245316
- Nabok, D.¹ Puschnig, P.² Ambrosch-Draxl, C.³

7
- 79958086084
- CPHCBZ 0010-4655 10.1016/j.cpc.2010.12.025
- K. Berland, Ø. Borck, and P. Hyldgaard, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2010.12.025 182, 1800 (2011).
- (2011) Comput. Phys. Commun. , vol.182 , pp. 1800
- Berland, K.¹ Borck Ø² Hyldgaard, P.³

8
- 62149116884
- PRBMDO 1098-0121 10.1103/PhysRevB.79.081407
- L. Kong, V. R. Cooper, N. Nijem, K. Li, J. Li, Y. J. Chabal, and D. C. Langreth, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79.081407 79, 081407 (2009).
- (2009) Phys. Rev. B , vol.79 , pp. 081407
- Kong, L.¹ Cooper, V.R.² Nijem, N.³ Li, K.⁴ Li, J.⁵ Chabal, Y.J.⁶ Langreth, D.C.⁷

9
- 84867261123
- JCOMEL 0953-8984 10.1088/0953-8984/24/42/424204
- Q. Li and T. Thonhauser, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/24/42/424204 24, 424204 (2012).
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 424204
- Li, Q.¹ Thonhauser, T.²

10
- 14344278811
- PRBMDO 1098-0121 10.1103/PhysRevB.15.2884
- D. C. Langreth and J. P. Perdew, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.15.2884 15, 2884 (1977).
- (1977) Phys. Rev. B , vol.15 , pp. 2884
- Langreth, D.C.¹ Perdew, J.P.²

11
- 25544474582
- PRBMDO 1098-0121 10.1103/PhysRevB.13.4274
- O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.4274 13, 4274 (1976).
- (1976) Phys. Rev. B , vol.13 , pp. 4274
- Gunnarsson, O.¹ Lundqvist, B.I.²

12
- 18144378706
- PRBMDO 1098-0121 10.1103/PhysRevB.33.8800
- J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.33.8800 33, 8800 (1986).
- (1986) Phys. Rev. B , vol.33 , pp. 8800
- Perdew, J.P.¹ Wang, Y.²

13
- 0001390033
- JCPSA6 0021-9606 10.1063/1.451353
- A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.451353 85, 7184 (1986).
- (1986) J. Chem. Phys. , vol.85 , pp. 7184
- Becke, A.D.¹

14
- 33645898818
- PRBMDO 1098-0121 10.1103/PhysRevB.45.13244
- J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.45.13244 45, 13244 (1992).
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

15
- 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

16
- 33644936253
- Functional designed to include surface effects in self-consistent density functional theory
- DOI 10.1103/PhysRevB.72.085108
- R. Armiento and A. E. Mattsson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.72.085108 72, 085108 (2005). (Pubitemid 43406100)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.72 , Issue.8 , pp. 085108
- Armiento, R.¹ Mattsson, A.E.²

17
- 79960242326
- NALEFD 1530-6984 10.1021/nl201441b
- J. Wyrick, D.-H. Kim, D. Sun, Z. Cheng, W. Lu, Y. Zhu, K. Berland, Y. S. Kim, E. Rotenberg, M. Luo, Nano Lett. NALEFD 1530-6984 10.1021/nl201441b 11, 2944 (2011).
- (2011) Nano Lett. , vol.11 , pp. 2944
- Wyrick, J.¹ Kim, D.-H.² Sun, D.³ Cheng, Z.⁴ Lu, W.⁵ Zhu, Y.⁶ Berland, K.⁷ Kim, Y.S.⁸ Rotenberg, E.⁹ Luo, M.¹⁰

18
- 72449171692
- PRBMDO 1098-0121 10.1103/PhysRevB.80.155431
- K. Berland, T. L. Einstein, and P. Hyldgaard, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.155431 80, 155431 (2009).
- (2009) Phys. Rev. B , vol.80 , pp. 155431
- Berland, K.¹ Einstein, T.L.² Hyldgaard, P.³

19
- 0035831260
- Quantum mechanical actuation of microelectromechanical systems by the Casimir force
- DOI 10.1126/science.1057984
- H. B. Chan, V. A. Aksyuk, R. N. Kleiman, D. J. Bishop, and F. Capasso, Science SCIEAS 0036-8075 10.1126/science.1057984 291, 1941 (2001). (Pubitemid 32216989)
- (2001) Science , vol.291 , Issue.5510 , pp. 1941-1944
- Chan, H.B.¹ Aksyuk, V.A.² Kleiman, R.N.³ Bishop, D.J.⁴ Capasso, F.⁵

20
- 84866983386
- JCPSA6 0021-9606 10.1063/1.4754130
- J. Klimeš and A. Michaelides, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.4754130 137, 120901 (2012).
- (2012) J. Chem. Phys. , vol.137 , pp. 120901
- Klimeš, J.¹ Michaelides, A.²

21
- 65449177249
- JCOMEL 0953-8984 10.1088/0953-8984/21/8/084203
- D. C. Langreth, B. I. Lundqvist, S. D. Chakarova-Käck, V. R. Cooper, M. Dion, P. Hyldgaard, A. Kelkkanen, J. Kleis, L. Kong, S. Li, J. Phys.: Condens. Matter. JCOMEL 0953-8984 10.1088/0953-8984/21/8/084203 21, 084203 (2009).
- (2009) J. Phys.: Condens. Matter. , vol.21 , pp. 084203
- Langreth, D.C.¹ Lundqvist, B.I.² Chakarova-Käck, S.D.³ Cooper, V.R.⁴ Dion, M.⁵ Hyldgaard, P.⁶ Kelkkanen, A.⁷ Kleis, J.⁸ Kong, L.⁹ Li, S.¹⁰

22
- 0037039459
- Empirical correction to density functional theory for van der Waals interactions
- DOI 10.1063/1.1424928
- Q. Wu and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1424928 116, 515 (2002). (Pubitemid 34064586)
- (2002) Journal of Chemical Physics , vol.116 , Issue.2 , pp. 515-524
- Wu, Q.¹ Yang, W.²

23
- 4043164887
- JCCHDD 0192-8651 10.1002/jcc.20078
- S. Grimme, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.20078 25, 1463 (2004).
- (2004) J. Comput. Chem. , vol.25 , pp. 1463
- Grimme, S.¹

24
- 33750559983
- Semiempirical GGA-type density functional constructed with a long-range dispersion correction
- DOI 10.1002/jcc.20495
- S. Grimme, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.20495 27, 1787 (2006). (Pubitemid 44672561)
- (2006) Journal of Computational Chemistry , vol.27 , Issue.15 , pp. 1787-1799
- Grimme, S.¹

25
- 77951680464
- JCPSA6 0021-9606 10.1063/1.3382344
- S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3382344 132, 154104 (2010).
- (2010) J. Chem. Phys. , vol.132 , pp. 154104
- Grimme, S.¹ Antony, J.² Ehrlich, S.³ Krieg, H.⁴

26
- 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

27
- 0034664530
- Tractable nonlocal correlation density functionals for flat surfaces and slabs
- DOI 10.1103/PhysRevB.62.6997
- H. Rydberg, B. I. Lundqvist, D. C. Langreth, and M. Dion, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.62.6997 62, 6997 (2000). (Pubitemid 32323592)
- (2000) Physical Review B - Condensed Matter and Materials Physics , vol.62 , Issue.11 , pp. 6997-7006
- Rydberg, H.¹ Lundqvist, B.I.² Langreth, D.C.³ Dion, M.⁴

28
- 0142219835
- PRLTAO 0031-9007 10.1103/PhysRevLett.91.126402
- H. Rydberg, M. Dion, N. Jacobson, E. Schröder, P. Hyldgaard, S. I. Simak, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.126402 91, 126402 (2003).
- (2003) Phys. Rev. Lett. , vol.91 , pp. 126402
- Rydberg, H.¹ Dion, M.² Jacobson, N.³ Schröder, E.⁴ Hyldgaard, P.⁵ Simak, S.I.⁶ Langreth, D.C.⁷ Lundqvist, B.I.⁸

29
- 3242718844
- PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401
- M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401 92, 246401 (2004).
- (2004) Phys. Rev. Lett. , vol.92 , pp. 246401
- Dion, M.¹ Rydberg, H.² Schröder, E.³ Langreth, D.C.⁴ Lundqvist, B.I.⁵

30
- 13944261578
- Van der Waals density functional theory with applications
- DOI 10.1002/qua.20315, Proceedings of the Tenth International Conference on the Applications of Density Functional Theory in Chemistry and Physics - Part I of II
- D. C. Langreth, M. Dion, H. Rydberg, E. Schröder, P. Hyldgaard, and B. I. Lundqvist, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.20315 101, 599 (2005). (Pubitemid 40264535)
- (2005) International Journal of Quantum Chemistry , vol.101 , Issue.5 , pp. 599-610
- Langreth, D.C.¹ Dion, M.² Rydberg, H.³ Schroder, E.⁴ Hyldgaard, P.⁵ Lundqvist, B.I.⁶

31
- 34648834821
- PRBMDO 1098-0121 10.1103/PhysRevB.76.125112
- T. Thonhauser, V. R. Cooper, S. Li, A. Puzder, P. Hyldgaard, and D. C. Langreth, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.125112 76, 125112 (2007).
- (2007) Phys. Rev. B , vol.76 , pp. 125112
- Thonhauser, T.¹ Cooper, V.R.² Li, S.³ Puzder, A.⁴ Hyldgaard, P.⁵ Langreth, D.C.⁶

32
- 77957555812
- PRBMDO 1098-0121 10.1103/PhysRevB.82.081101
- K. Lee, E. D. Murray, L. Kong, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.081101 82, 081101 (2010).
- (2010) Phys. Rev. B , vol.82 , pp. 081101
- Lee, K.¹ Murray, E.D.² Kong, L.³ Lundqvist, B.I.⁴ Langreth, D.C.⁵

33
- 0000328172
- B. Lundqvist, Phys. Kondens. Mater. 6, 193 (1967).
- (1967) Phys. Kondens. Mater. , vol.6 , pp. 193
- Lundqvist, B.¹

34
- 0001395541
- B. Lundqvist, Phys. Kondens. Mater. 6, 206 (1967).
- (1967) Phys. Kondens. Mater. , vol.6 , pp. 206
- Lundqvist, B.¹

35
- 0041503786
- B. Lundqvist, Phys. Kondens. Mater. 7, 117 (1967).
- (1967) Phys. Kondens. Mater. , vol.7 , pp. 117
- Lundqvist, B.¹

36
- 0000800996
- PRBMDO 1098-0121 10.1103/PhysRevB.57.6592
- B. E. Sernelius and P. Björk, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.57.6592 57, 6592 (1998).
- (1998) Phys. Rev. B , vol.57 , pp. 6592
- Sernelius, B.E.¹ Björk, P.²

37
- 84867240351
- JCOMEL 0953-8984 10.1088/0953-8984/24/42/424207
- J. P. Perdew, J. Tao, P. Hao, A. Ruzsinszky, G. I. Csonka, and J. M. Pitarke, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/24/42/ 424207 24, 424207 (2012).
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 424207
- Perdew, J.P.¹ Tao, J.² Hao, P.³ Ruzsinszky, A.⁴ Csonka, G.I.⁵ Pitarke, J.M.⁶

38
- 34547554568
- JCPSA6 0021-9606 10.1063/1.2190220
- E. R. Johnson and A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2190220 124, 174104 (2006).
- (2006) J. Chem. Phys. , vol.124 , pp. 174104
- Johnson, E.R.¹ Becke, A.D.²

39
- 0343439200
- Y. U. Barask, Fiz. Tverd. Tela. 30, 1578 (1988).
- (1988) Fiz. Tverd. Tela. , vol.30 , pp. 1578
- Barask, Y.U.¹

40
- 84871731425
- PLRAAN 1050-2947 10.1103/PhysRevA.86.062714
- J. P. Perdew, A. Ruzsinszky, J. Sun, S. Glindmeyer, and G. I. Csonka, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.86.062714 86, 062714 (2012).
- (2012) Phys. Rev. A , vol.86 , pp. 062714
- Perdew, J.P.¹ Ruzsinszky, A.² Sun, J.³ Glindmeyer, S.⁴ Csonka, G.I.⁵

41
- 84867256438
- JCOMEL 0953-8984 10.1088/0953-8984/24/42/424218
- T. Björkman, A. Gulans, A. V. Krasheninnikov, and R. M. Nieminen, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/24/42/424218 24, 424218 (2012).
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 424218
- Björkman, T.¹ Gulans, A.² Krasheninnikov, A.V.³ Nieminen, R.M.⁴

42
- 33744470857
- 10.1039/B600027D
- P. Jurečka, J. Šponer, J. Cerny, and P. Hobza, Phys. Chem. Chem. Phys. 10.1039/B600027D 8, 1985 (2006).
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 1985
- Jurečka, P.¹ Šponer, J.² Cerny, J.³ Hobza, P.⁴

43
- 77955578570
- 1549-9618 10.1021/ct1002253
- L. Grafova, M. Pitoňak, J. Řezač, and P. Hobza, J. Chem. Theory Comput. 1549-9618 10.1021/ct1002253 6, 2365 (2010).
- (2010) J. Chem. Theory Comput. , vol.6 , pp. 2365
- Grafova, L.¹ Pitoňak, M.² Řezač, J.³ Hobza, P.⁴

44
- 80051662513
- 1549-9618 10.1021/ct2002946
- J. Řezač, K. E. Riley, and P. Hobza, J. Chem. Theory Comput. 1549-9618 10.1021/ct2002946 7, 2427 (2011).
- (2011) J. Chem. Theory Comput. , vol.7 , pp. 2427
- Řezač, J.¹ Riley, K.E.² Hobza, P.³

45
- 84856935244
- JCOMEL 0953-8984 10.1088/0953-8984/24/7/073201
- J. F. Dobson and T. Gould, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/24/7/073201 24, 073201 (2012).
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 073201
- Dobson, J.F.¹ Gould, T.²

46
- 82655185109
- PRBMDO 1098-0121 10.1103/PhysRevB.84.193408
- K. Lee, A. K. Kelkkanen, K. Berland, S. Andersson, D. C. Langreth, E. Schröder, B. I. Lundqvist, and P. Hyldgaard, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.193408 84, 193408 (2011).
- (2011) Phys. Rev. B , vol.84 , pp. 193408
- Lee, K.¹ Kelkkanen, A.K.² Berland, K.³ Andersson, S.⁴ Langreth, D.C.⁵ Schröder, E.⁶ Lundqvist, B.I.⁷ Hyldgaard, P.⁸

47
- 84867281669
- JCOMEL 0953-8984 10.1088/0953-8984/24/42/424213
- K. Lee, K. Berland, M. Yoon, S. Andersson, E. Schröder, P. Hyldgaard, and B. I. Lundqvist, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/24/42/424213 24, 424213 (2012).
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 424213
- Lee, K.¹ Berland, K.² Yoon, M.³ Andersson, S.⁴ Schröder, E.⁵ Hyldgaard, P.⁶ Lundqvist, B.I.⁷

48
- 0000019062
- PRLTAO 0031-9007 10.1103/PhysRevLett.70.202
- S. Andersson and M. Persson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.70.202 70, 202 (1993).
- (1993) Phys. Rev. Lett. , vol.70 , pp. 202
- Andersson, S.¹ Persson, M.²

49
- 85029400214
- PRLTAO 0031-9007 10.1103/PhysRevLett.80.890
- Y. Zhang and W. Yang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.890 80, 890 (1998).
- (1998) Phys. Rev. Lett. , vol.80 , pp. 890
- Zhang, Y.¹ Yang, W.²

50
- 77955383468
- PRBMDO 1098-0121 10.1103/PhysRevB.81.161104
- V. R. Cooper, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.161104 81, 161104 (2010).
- (2010) Phys. Rev. B , vol.81 , pp. 161104
- Cooper, V.R.¹

51
- 72249123003
- 1549-9618 10.1021/ct900365q
- É. D. Murray, K. Lee, and D. C. Langreth, J. Chem. Theory Comput. 1549-9618 10.1021/ct900365q 5, 2754 (2009).
- (2009) J. Chem. Theory Comput. , vol.5 , pp. 2754
- Murray, É.D.¹ Lee, K.² Langreth, D.C.³

52
- 72249104051
- JCOMEL 0953-8984 10.1088/0953-8984/22/2/022201
- J. Klimeš, D. R. Bowler, and A. Michaelides, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/22/2/022201 22, 022201 (2010).
- (2010) J. Phys.: Condens. Matter , vol.22 , pp. 022201
- Klimeš, J.¹ Bowler, D.R.² Michaelides, A.³

53
- 34547139114
- JCPSA6 0021-9606 10.1063/1.2189229
- A. Puzder, M. Dion, and D. C. Langreth, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2189229 124, 164105 (2006).
- (2006) J. Chem. Phys. , vol.124 , pp. 164105
- Puzder, A.¹ Dion, M.² Langreth, D.C.³

54
- 75749103761
- NJOPFM 1367-2630 10.1088/1367-2630/12/1/013017
- S. D. Chakarova-Käck, A. Vojvodic, J. Kleis, P. Hyldgaard, and E. Schröder, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/12/1/013017 12, 013017 (2010).
- (2010) New J. Phys. , vol.12 , pp. 013017
- Chakarova-Käck, S.D.¹ Vojvodic, A.² Kleis, J.³ Hyldgaard, P.⁴ Schröder, E.⁵

55
- 79251511205
- JCPSA6 0021-9606 10.1063/1.3507916
- I. Hamada, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3507916 133, 214503 (2010).
- (2010) J. Chem. Phys. , vol.133 , pp. 214503
- Hamada, I.¹

56
- 84857764768
- PRBMDO 1098-0121 10.1103/PhysRevB.85.085412
- M. Viitala, M. Kuisma, and T. T. Rantala, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.085412 85, 085412 (2012).
- (2012) Phys. Rev. B , vol.85 , pp. 085412
- Viitala, M.¹ Kuisma, M.² Rantala, T.T.³

57
- 62549106170
- JCPSA6 0021-9606 10.1063/1.3086040
- P. G. Moses, J. J. Mortensen, B. I. Lundqvist, and J. K. Nørskov, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3086040 130, 104709 (2009).
- (2009) J. Chem. Phys. , vol.130 , pp. 104709
- Moses, P.G.¹ Mortensen, J.J.² Lundqvist, B.I.³ Nørskov, J.K.⁴

58
- 78149266096
- PRBMDO 1098-0121 10.1103/PhysRevB.82.155461
- K. Lee, Y. Morikawa, and D. C. Langreth, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.155461 82, 155461 (2010).
- (2010) Phys. Rev. B , vol.82 , pp. 155461
- Lee, K.¹ Morikawa, Y.² Langreth, D.C.³

59
- 41549119876
- PRBMDO 1098-0121 10.1103/PhysRevB.77.121404
- K. Johnston, J. Kleis, B. I. Lundqvist, and R. M. Nieminen, Phys. Rev. B. PRBMDO 1098-0121 10.1103/PhysRevB.77.121404 77, 121404 (2008).
- (2008) Phys. Rev. B. , vol.77 , pp. 121404
- Johnston, K.¹ Kleis, J.² Lundqvist, B.I.³ Nieminen, R.M.⁴

60
- 33645835183
- PRLTAO 0031-9007 10.1103/PhysRevLett.96.146107
- S. D. Chakarova-Käck, E. Schröder, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.146107 96, 146107 (2006).
- (2006) Phys. Rev. Lett. , vol.96 , pp. 146107
- Chakarova-Käck, S.D.¹ Schröder, E.² Lundqvist, B.I.³ Langreth, D.C.⁴

61
- 79953666390
- JCOMEL 0953-8984 10.1088/0953-8984/23/13/135001
- K. Berland, S. D. Chakarova-Käck, V. R. Cooper, D. C. Langreth, and E. Schröder, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/23/13/135001 23, 135001 (2011).
- (2011) J. Phys.: Condens. Matter , vol.23 , pp. 135001
- Berland, K.¹ Chakarova-Käck, S.D.² Cooper, V.R.³ Langreth, D.C.⁴ Schröder, E.⁵

62
- 84867253881
- JCOMEL 0953-8984 10.1088/0953-8984/24/42/424212
- E. Londero, E. K. Karlson, M. Landahl, D. Ostrovskii, J. D. Rydberg, and E. Schröder, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/24/42/424212 24, 424212 (2012).
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 424212
- Londero, E.¹ Karlson, E.K.² Landahl, M.³ Ostrovskii, D.⁴ Rydberg, J.D.⁵ Schröder, E.⁶

63
- 35548932867
- Importance of Van der Waals interaction for organic molecule-metal junctions: Adsorption of thiophene on Cu(110) as a prototype
- DOI 10.1103/PhysRevLett.99.176401
- P. Sony, P. Puschnig, D. Nabok, and C. Ambrosch-Draxl, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.99.176401 99, 176401 (2007). (Pubitemid 350015159)
- (2007) Physical Review Letters , vol.99 , Issue.17 , pp. 176401
- Sony, P.¹ Puschnig, P.² Nabok, D.³ Ambrosch-Draxl, C.⁴

64
- 77952105636
- TOCAFI 1022-5528 10.1007/s11244-010-9443-6
- J. Wellendorff, A. Kelkkanen, J. Mortensen, B. Lundqvist, and T. Bligaard, Top. Catal. TOCAFI 1022-5528 10.1007/s11244-010-9443-6 53, 378 (2010).
- (2010) Top. Catal. , vol.53 , pp. 378
- Wellendorff, J.¹ Kelkkanen, A.² Mortensen, J.³ Lundqvist, B.⁴ Bligaard, T.⁵

65
- 78649745347
- PRBMDO 1098-0121 10.1103/PhysRevB.82.201410
- D. Sun, D.-H. Kim, D. Le, Ø. Borck, K. Berland, K. Kim, W. Lu, Y. Zhu, M. Luo, J. Wyrick, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.201410 82, 201410 (2010).
- (2010) Phys. Rev. B , vol.82 , pp. 201410
- Sun, D.¹ Kim, D.-H.² Le, D.³ Borck Ø⁴ Berland, K.⁵ Kim, K.⁶ Lu, W.⁷ Zhu, Y.⁸ Luo, M.⁹ Wyrick, J.¹⁰

66
- 84859022855
- PRBMDO 1098-0121 10.1103/PhysRevB.85.121409
- G. Li, I. Tamblyn, V. R. Cooper, H.-J. Gao, and J. B. Neaton, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.121409 85, 121409 (2012).
- (2012) Phys. Rev. B , vol.85 , pp. 121409
- Li, G.¹ Tamblyn, I.² Cooper, V.R.³ Gao, H.-J.⁴ Neaton, J.B.⁵

67
- 84861890021
- PRLTAO 0031-9007 10.1103/PhysRevLett.108.235502
- T. Björkman, A. Gulans, A. V. Krasheninnikov, and R. M. Nieminen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108.235502 108, 235502 (2012).
- (2012) Phys. Rev. Lett. , vol.108 , pp. 235502
- Björkman, T.¹ Gulans, A.² Krasheninnikov, A.V.³ Nieminen, R.M.⁴

68
- 77957372638
- PRBMDO 1098-0121 10.1103/PhysRevB.82.054116
- E. Londero and E. Schröder, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.054116 82, 054116 (2010).
- (2010) Phys. Rev. B , vol.82 , pp. 054116
- Londero, E.¹ Schröder, E.²

69
- 79958164925
- CPHCBZ 0010-4655 10.1016/j.cpc.2010.12.036
- E. Londero and E. Schröder, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2010.12.036 182, 1805 (2011).
- (2011) Comput. Phys. Commun. , vol.182 , pp. 1805
- Londero, E.¹ Schröder, E.²

70
- 0035891306
- Towards extending the applicability of density functional theory to weakly bound systems
- DOI 10.1063/1.1412004
- X. Wu, M. C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1412004 115, 8748 (2001). (Pubitemid 33102901)
- (2001) Journal of Chemical Physics , vol.115 , Issue.19 , pp. 8748-8757
- Wu, X.¹ Vargas, M.C.² Nayak, S.³ Lotrich, V.⁴ Scoles, G.⁵

71
- 65249109838
- 1549-9618 10.1021/ct800522r
- F. O. Kannemann and A. D. Becke, J. Chem. Theory Comput. 1549-9618 10.1021/ct800522r 5, 719 (2009).
- (2009) J. Chem. Theory Comput. , vol.5 , pp. 719
- Kannemann, F.O.¹ Becke, A.D.²

72
- 79961071153
- PRBMDO 1098-0121 10.1103/PhysRevB.83.113401
- A. K. Kelkkanen, B. I. Lundqvist, and J. K. Nørskov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.113401 83, 113401 (2011).
- (2011) Phys. Rev. B , vol.83 , pp. 113401
- Kelkkanen, A.K.¹ Lundqvist, B.I.² Nørskov, J.K.³

73
- 79961224950
- PRBMDO 1098-0121 10.1103/PhysRevB.83.245437
- I. Hamada and M. Tsukada, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.245437 83, 245437 (2011).
- (2011) Phys. Rev. B , vol.83 , pp. 245437
- Hamada, I.¹ Tsukada, M.²

74
- 78149246957
- PRBMDO 1098-0121 10.1103/PhysRevB.82.153412
- I. Hamada and M. Otani, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.153412 82, 153412 (2010).
- (2010) Phys. Rev. B , vol.82 , pp. 153412
- Hamada, I.¹ Otani, M.²

75
- 84866841717
- 1932-7447 10.1021/jp306062s
- R. Peköz, K. Johnston, and D. Donadio, J. Phys. Chem. C 1932-7447 10.1021/jp306062s 116, 20409 (2012).
- (2012) J. Phys. Chem. C , vol.116 , pp. 20409
- Peköz, R.¹ Johnston, K.² Donadio, D.³

76
- 64649102180
- PRLTAO 0031-9007 10.1103/PhysRevLett.102.136809
- N. Atodiresei, V. Caciuc, P. Lazić, and S. Blügel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.136809 102, 136809 (2009).
- (2009) Phys. Rev. Lett. , vol.102 , pp. 136809
- Atodiresei, N.¹ Caciuc, V.² Lazić, P.³ Blügel, S.⁴

77
- 79961053397
- PRLTAO 0031-9007 10.1103/PhysRevLett.107.036101
- C. Busse, P. Lazić, R. Djemour, J. Coraux, T. Gerber, N. Atodiresei, V. Caciuc, R. Brako, A. T. N'Diaye, S. Blügel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.036101 107, 036101 (2011).
- (2011) Phys. Rev. Lett. , vol.107 , pp. 036101
- Busse, C.¹ Lazić, P.² Djemour, R.³ Coraux, J.⁴ Gerber, T.⁵ Atodiresei, N.⁶ Caciuc, V.⁷ Brako, R.⁸ N'Diaye, A.T.⁹ Blügel, S.¹⁰

78
- 78650111105
- NJOPFM 1367-2630 10.1088/1367-2630/12/11/113016
- R. Brako, D. Šokčević, P. Lazić, and N. Atodiresei, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/12/11/113016 12, 113016 (2010).
- (2010) New J. Phys. , vol.12 , pp. 113016
- Brako, R.¹ Šokčević, D.² Lazić, P.³ Atodiresei, N.⁴

79
- 41849095114
- Restoring the density-gradient expansion for exchange in solids and surfaces
- DOI 10.1103/PhysRevLett.100.136406
- J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406 100, 136406 (2008). (Pubitemid 351503187)
- (2008) Physical Review Letters , vol.100 , Issue.13 , pp. 136406
- Perdew, J.P.¹ Ruzsinszky, A.² Csonka, G.I.³ Vydrov, O.A.⁴ Scuseria, G.E.⁵ Constantin, L.A.⁶ Zhou, X.⁷ Burke, K.⁸

80
- 0008118546
- PLRAAN 1050-2947 10.1103/PhysRevA.22.1827
- J. Schwinger, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.22.1827 22, 1827 (1980).
- (1980) Phys. Rev. A , vol.22 , pp. 1827
- Schwinger, J.¹

81
- 25344459622
- PLRAAN 1050-2947 10.1103/PhysRevA.24.2353
- J. Schwinger, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.24.2353 24, 2353 (1981).
- (1981) Phys. Rev. A , vol.24 , pp. 2353
- Schwinger, J.¹

82
- 70350648863
- CJCHAG 0008-4042 10.1139/V09-095
- P. Elliott and K. Burke, Can. J. Chem. CJCHAG 0008-4042 10.1139/V09-095 87, 1485 (2009).
- (2009) Can. J. Chem. , vol.87 , pp. 1485
- Elliott, P.¹ Burke, K.²

83
- 0000780089
- PRBMDO 1098-0121 10.1103/PhysRevB.31.1770
- J. Harris, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.31.1770 31, 1770 (1985).
- (1985) Phys. Rev. B , vol.31 , pp. 1770
- Harris, J.¹

84
- 62549107034
- JCPSA6 0021-9606 10.1063/1.3079684
- O. A. Vydrov and T. V. Voorhis, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3079684 130, 104105 (2009).
- (2009) J. Chem. Phys. , vol.130 , pp. 104105
- Vydrov, O.A.¹ Voorhis, T.V.²

85
- 68749098493
- PRLTAO 0031-9007 10.1103/PhysRevLett.103.063004
- O. A. Vydrov and T. Van Voorhis, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.063004 103, 063004 (2009).
- (2009) Phys. Rev. Lett. , vol.103 , pp. 063004
- Vydrov, O.A.¹ Van Voorhis, T.²

86
- 78650908745
- JCPSA6 0021-9606 10.1063/1.3521275
- O. A. Vydrov and T. V. Voorhis, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3521275 133, 244103 (2010).
- (2010) J. Chem. Phys. , vol.133 , pp. 244103
- Vydrov, O.A.¹ Voorhis, T.V.²

87
- 84877905934
- Open source code dacapo
- Open source code dacapo, http://www.fysik.dtu.dk/CAMPOS/.

88
- 79961122453
- PRBMDO 1098-0121 10.1103/PhysRevB.83.165423
- J. Rohrer and P. Hyldgaard, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.165423 83, 165423 (2011).
- (2011) Phys. Rev. B , vol.83 , pp. 165423
- Rohrer, J.¹ Hyldgaard, P.²

89
- 43949107189
- PRBMDO 1098-0121 10.1103/PhysRevB.77.205422
- J. Kleis, E. Schröder, and P. Hyldgaard, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.77.205422 77, 205422 (2008).
- (2008) Phys. Rev. B , vol.77 , pp. 205422
- Kleis, J.¹ Schröder, E.² Hyldgaard, P.³

90
- 42749102313
- PRBMDO 1098-0121 10.1103/PhysRevB.69.155406
- R. Zacharia, H. Ulbricht, and T. Hertel, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.155406 69, 155406 (2004).
- (2004) Phys. Rev. B , vol.69 , pp. 155406
- Zacharia, R.¹ Ulbricht, H.² Hertel, T.³

91
- 0037424146
- PRLTAO 0031-9007 10.1103/PhysRevLett.90.095501
- H. Ulbricht, G. Moos, and T. Hertel, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.095501 90, 095501 (2003).
- (2003) Phys. Rev. Lett. , vol.90 , pp. 095501
- Ulbricht, H.¹ Moos, G.² Hertel, T.³

92
- 0346056582
- JCPSA6 0021-9606 10.1063/1.1625914
- P. Reinke, H. Feldermann, and P. Oelhafen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1625914 119, 12547 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 12547
- Reinke, P.¹ Feldermann, H.² Oelhafen, P.³

93
- 80455149729
- PRBMDO 1098-0121 10.1103/PhysRevB.84.155451
- A. Bergvall, K. Berland, P. Hyldgaard, S. Kubatkin, and T. Löfwander, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.155451 84, 155451 (2011).
- (2011) Phys. Rev. B , vol.84 , pp. 155451
- Bergvall, A.¹ Berland, K.² Hyldgaard, P.³ Kubatkin, S.⁴ Löfwander, T.⁵

94
- 84867280839
- JCOMEL 0953-8984 10.1088/0953-8984/24/42/424214
- V. Caciuc, N. Atodiresei, M. Callsen, P. Lazić, and S. Blügel, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/24/42/ 424214 24, 424214 (2012).
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 424214
- Caciuc, V.¹ Atodiresei, N.² Callsen, M.³ Lazić, P.⁴ Blügel, S.⁵

95
- 0011236321
- PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
- G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
- (1999) Phys. Rev. B , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, D.²

96
- 84859582419
- 1549-9618 10.1021/ct200880m
- O. Hod, J. Chem. Theory Comput. 1549-9618 10.1021/ct200880m 8, 1360 (2012).
- (2012) J. Chem. Theory Comput. , vol.8 , pp. 1360
- Hod, O.¹

97
- 84877895802
- arXiv: 1302.7171.
- J.-H. Lee, Y.-K. Choi, H.-J. Kim, R. H. Scheicher, and J.-H. Cho, arXiv: 1302.7171.
- Lee, J.-H.¹ Choi, Y.-K.² Kim, H.-J.³ Scheicher, R.H.⁴ Cho, J.-H.⁵

98
- 84867009426
- PRBMDO 1098-0121 10.1103/PhysRevB.86.121407
- M. Švec, P. Merino, Y. J. Dappe, C. González, E. Abad, P. Jelínek, and J. A. Martin-Gago, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.121407 86, 121407 (2012).
- (2012) Phys. Rev. B , vol.86 , pp. 121407
- Švec, M.¹ Merino, P.² Dappe, Y.J.³ González, C.⁴ Abad, E.⁵ Jelínek, P.⁶ Martin-Gago, J.A.⁷

99
- 70349310338
- JCOMEL 0953-8984 10.1088/0953-8984/21/40/402001
- H. Pinto, R. Jones, J. P. Goss, and P. R. Briddon, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/40/402001 21, 402001 (2009).
- (2009) J. Phys.: Condens. Matter , vol.21 , pp. 402001
- Pinto, H.¹ Jones, R.² Goss, J.P.³ Briddon, P.R.⁴

100
- 0029878720
- VMD: Visual molecular dynamics
- DOI 10.1016/0263-7855(96)00018-5
- W. Humphrey, A. Dalke, and K. Schulten, J. Mol. Graphics JMGRDV 0263-7855 10.1016/0263-7855(96)00018-5 14, 33 (1996). (Pubitemid 26152973)
- (1996) Journal of Molecular Graphics , vol.14 , Issue.1 , pp. 33-38
- Humphrey, W.¹ Dalke, A.² Schulten, K.³

101
- 84877913532
- arXiv: 1303.3762.
- K. Berland, E. Londero, E. Schröder, and P. Hyldgaard, arXiv: 1303.3762.
- Berland, K.¹ Londero, E.² Schröder, E.³ Hyldgaard, P.⁴

102
- 0003460779
- McGraw-Hill, New York
- J. Slater, Quantum Theory of Molecules and Solids: Electronic Structure of Molecules, International Series in Pure and Applied Physics (McGraw-Hill, New York, 1963).
- (1963) Quantum Theory of Molecules and Solids: Electronic Structure of Molecules
- Slater, J.¹

103
- 77954820919
- 1098-0121 10.1103/PhysRevB.81.045401
- P. Lazić, M. Alaei, N. Atodiresei, V. Caciuc, R. Brako, and S. Blügel, Phys. Rev. B 1098-0121 10.1103/PhysRevB.81.045401 81, 045401 (2010).
- (2010) Phys. Rev. B , vol.81 , pp. 045401
- Lazić, P.¹ Alaei, M.² Atodiresei, N.³ Caciuc, V.⁴ Brako, R.⁵ Blügel, S.⁶

104
- 77953950028
- PLRAAN 1050-2947 10.1103/PhysRevA.81.062708
- O. A. Vydrov and T. Van Voorhis, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.81.062708 81, 062708 (2010).
- (2010) Phys. Rev. A , vol.81 , pp. 062708
- Vydrov, O.A.¹ Van Voorhis, T.²

105
- 33845744304
- N -alkanes on Pt(111) and on C (0001) Pt (111): Chain length dependence of kinetic desorption parameters
- DOI 10.1063/1.2400235
- S. L. Tait, Z. Dohnálek, C. T. Campbell, and D. Kay, J. Chem. Phys. 0021-9606 10.1063/1.2400235 125, 234308 (2006). (Pubitemid 46013647)
- (2006) Journal of Chemical Physics , vol.125 , Issue.23 , pp. 234308
- Tait, S.L.¹ Dohnalek, Z.² Campbell, C.T.³ Kay, B.D.⁴

106
- 23044443132
- Van der Waals interactions of polycyclic aromatic hydrocarbon dimers
- DOI 10.1063/1.1835956, 054102
- S. D. Chakarova and E. Schröder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1835956 122, 054102 (2005). (Pubitemid 41055344)
- (2005) Journal of Chemical Physics , vol.122 , Issue.5 , pp. 1-5
- Chakarova, S.D.¹ Schroder, E.²

107
- 78649910295
- 1948-7185 10.1021/jz101360k
- J. Björk, F. Hanke, C.-A. Palma, P. Samori, M. Cecchini, and M. Persson, J Phys. Chem. Lett. 1948-7185 10.1021/jz101360k 1, 3407 (2010).
- (2010) J Phys. Chem. Lett. , vol.1 , pp. 3407
- Björk, J.¹ Hanke, F.² Palma, C.-A.³ Samori, P.⁴ Cecchini, M.⁵ Persson, M.⁶

108
- 0041931359
- JPSOAW 0022-3719 10.1088/0022-3719/11/20/020
- B. N. J. Persson, J. Phys. C: Solid State Phys. JPSOAW 0022-3719 10.1088/0022-3719/11/20/020 11, 4251 (1978).
- (1978) J. Phys. C: Solid State Phys. , vol.11 , pp. 4251
- Persson, B.N.J.¹

109
- 4243710074
- PRLTAO 0031-9007 10.1103/PhysRevLett.49.662
- M. Persson and B. Hellsing, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.49.662 49, 662 (1982).
- (1982) Phys. Rev. Lett. , vol.49 , pp. 662
- Persson, M.¹ Hellsing, B.²

110
- 85025774367
- SUSCAS 0039-6028 10.1016/0039-6028(80)90691-3
- B. Persson and M. Persson, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(80)90691-3 97, 609 (1980).
- (1980) Surf. Sci. , vol.97 , pp. 609
- Persson, B.¹ Persson, M.²

111
- 78651373963
- PLEEE8 1539-3755 10.1103/PhysRevE.82.051605
- M. Neek-Amal, N. Abedpour, S. N. Rasuli, A. Naji, and M. R. Ejtehadi, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.82.051605 82, 051605 (2010).
- (2010) Phys. Rev. e , vol.82 , pp. 051605
- Neek-Amal, M.¹ Abedpour, N.² Rasuli, S.N.³ Naji, A.⁴ Ejtehadi, M.R.⁵

112
- 76249102472
- 1755-4330 10.1038/nchem.517
- L. Bartels, Nat. Chem. 1755-4330 10.1038/nchem.517 2, 87 (2010).
- (2010) Nat. Chem. , vol.2 , pp. 87
- Bartels, L.¹

113
- 69549112978
- SUSCAS 0039-6028 10.1016/j.susc.2009.07.039
- K. Toyoda, Y. Nakano, I. Hamada, K. Lee, S. Yanagisawa, and Y. Morikawa, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2009.07.039 603, 2912 (2009).
- (2009) Surf. Sci. , vol.603 , pp. 2912
- Toyoda, K.¹ Nakano, Y.² Hamada, I.³ Lee, K.⁴ Yanagisawa, S.⁵ Morikawa, Y.⁶

114
- 78149256914
- JCPSA6 0021-9606 10.1063/1.3373389
- K. Toyoda, I. Hamada, K. Lee, S. Yanagisawa, and Y. Morikawa, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3373389 132, 134703 (2010).
- (2010) J. Chem. Phys. , vol.132 , pp. 134703
- Toyoda, K.¹ Hamada, I.² Lee, K.³ Yanagisawa, S.⁴ Morikawa, Y.⁵

115
- 79953710584
- 1932-7447 10.1021/jp1107262
- K. Toyoda, I. Hamada, K. Lee, S. Yanagisawa, and Y. Morikawa, J. Phys. Chem. C 1932-7447 10.1021/jp1107262 115, 5767 (2011).
- (2011) J. Phys. Chem. C , vol.115 , pp. 5767
- Toyoda, K.¹ Hamada, I.² Lee, K.³ Yanagisawa, S.⁴ Morikawa, Y.⁵

116
- 0000305993
- PRBMDO 1098-0121 10.1103/PhysRevB.40.8146
- S. Andersson, L. Wilzén, M. Persson, and J. Harris, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.40.8146 40, 8146 (1989).
- (1989) Phys. Rev. B , vol.40 , pp. 8146
- Andersson, S.¹ Wilzén, L.² Persson, M.³ Harris, J.⁴

117
- 0008237984
- PRBMDO 1098-0121 10.1103/PhysRevB.48.5685
- S. Andersson and M. Persson, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.48.5685 48, 5685 (1993).
- (1993) Phys. Rev. B , vol.48 , pp. 5685
- Andersson, S.¹ Persson, M.²

118
- 0037081346
- PRBMDO 1098-0121 10.1103/PhysRevB.65.045409
- T. Andersson, F. Althoff, P. Linde, S. Andersson, and K. Burke, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.65.045409 65, 045409 (2002).
- (2002) Phys. Rev. B , vol.65 , pp. 045409
- Andersson, T.¹ Althoff, F.² Linde, P.³ Andersson, S.⁴ Burke, K.⁵

119
- 84946314578
- MOPHAM 0026-8976 10.1080/00268979200100251
- A. Kumar and W. J. Meath, Mol. Phys. MOPHAM 0026-8976 10.1080/00268979200100251 75, 311 (1992).
- (1992) Mol. Phys. , vol.75 , pp. 311
- Kumar, A.¹ Meath, W.J.²

120
- 4644234123
- JCPSA6 0021-9606 10.1063/1.1779576
- X. Chu and A. Dalgarno, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1779576 121, 4083 (2004).
- (2004) J. Chem. Phys. , vol.121 , pp. 4083
- Chu, X.¹ Dalgarno, A.²

121
- 0001437377
- PRBMDO 1098-0121 10.1103/PhysRevB.59.4708
- E. Hult, H. Rydberg, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.4708 59, 4708 (1999).
- (1999) Phys. Rev. B , vol.59 , pp. 4708
- Hult, E.¹ Rydberg, H.² Lundqvist, B.I.³ Langreth, D.C.⁴

122
- 0000780619
- JCPSA6 0021-9606 10.1063/1.460038
- M. A. Spackman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460038 94, 1288 (1991).
- (1991) J. Chem. Phys. , vol.94 , pp. 1288
- Spackman, M.A.¹

123
- 84870596239
- PRLTAO 0031-9007 10.1103/PhysRevLett.109.233203
- A. Ruzsinszky, J. P. Perdew, J. Tao, G. I. Csonka, and J. M. Pitarke, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.109.233203 109, 233203 (2012).
- (2012) Phys. Rev. Lett. , vol.109 , pp. 233203
- Ruzsinszky, A.¹ Perdew, J.P.² Tao, J.³ Csonka, G.I.⁴ Pitarke, J.M.⁵

124
- 78149314542
- PRLTAO 0031-9007 10.1103/PhysRevLett.105.196401
- S. Lebègue, J. Harl, T. Gould, J. G. Ángyán, G. Kresse, and J. F. Dobson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett. 105.196401 105, 196401 (2010).
- (2010) Phys. Rev. Lett. , vol.105 , pp. 196401
- Lebègue, S.¹ Harl, J.² Gould, T.³ Ángyán, J.G.⁴ Kresse, G.⁵ Dobson, J.F.⁶

125
- 39749147651
- The force needed to move an atom on a surface
- DOI 10.1126/science.1150288
- M. Ternes, C. P. Lutz, C. F. Hirjibehedin, F. J. Giessibl, and A. J. Heinrich, Science SCIEAS 0036-8075 10.1126/science.1150288 319, 1066 (2008). (Pubitemid 351300783)
- (2008) Science , vol.319 , Issue.5866 , pp. 1066-1069
- Ternes, M.¹ Lutz, C.P.² Hirjibehedin, C.F.³ Giessibl, F.J.⁴ Heinrich, A.J.⁵

126
- 84872282037
- PRLTAO 0031-9007 10.1103/PhysRevLett.110.036101
- G. Langewisch, J. Falter, H. Fuchs, and A. Schirmeisen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.110.036101 110, 036101 (2013).
- (2013) Phys. Rev. Lett. , vol.110 , pp. 036101
- Langewisch, G.¹ Falter, J.² Fuchs, H.³ Schirmeisen, A.⁴

127
- 33646532477
- APPLAB 0003-6951 10.1063/1.2199969
- K. L. Wong, K.-Y. Kwon, and L. Bartels, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2199969 88, 183106 (2006).
- (2006) Appl. Phys. Lett. , vol.88 , pp. 183106
- Wong, K.L.¹ Kwon, K.-Y.² Bartels, L.³

128
- 81755167298
- 1932-7447 10.1021/jp208026u
- A. J. Martinez-Galera and J. M. Gomez-Rodriguez, J. Phys. Chem. C 1932-7447 10.1021/jp208026u 115, 23036 (2011).
- (2011) J. Phys. Chem. C , vol.115 , pp. 23036
- Martinez-Galera, A.J.¹ Gomez-Rodriguez, J.M.²

129
- 84877914653
- Ph.D. thesis, Chalmers University of Technology
- H. Rydberg, Ph.D. thesis, Chalmers University of Technology, 2001.
- (2001)
- Rydberg, H.¹

130
- 0142183388
- Single-electron transistor of a single organic molecule with access to several redox states
- DOI 10.1038/nature02010
- S. Kubatkin, A. Danilov, M. Hjort, J. Cornil, J.-L. Brédas, N. Stuhr-Hansen, P. Hedegård, and T. Bjørnholm, Nature (London) NATUAS 0028-0836 10.1038/nature02010 425, 698 (2003). (Pubitemid 37321322)
- (2003) Nature , vol.425 , Issue.6959 , pp. 698-701
- Kubatkin, S.¹ Danilov, A.² Hjort, M.³ Cornil, J.⁴ Bredas, J.-L.⁵ Stuhr-Hansen, N.⁶ Hedegard, P.⁷ Bjornholm, T.⁸

131
- 33751318708
- Renormalization of molecular electronic levels at metal-molecule interfaces
- DOI 10.1103/PhysRevLett.97.216405
- J. B. Neaton, M. S. Hybertsen, and S. G. Louie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.216405 97, 216405 (2006). (Pubitemid 44808142)
- (2006) Physical Review Letters , vol.97 , Issue.21 , pp. 216405
- Neaton, J.B.¹ Hybertsen, M.S.² Louie, S.G.³

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