SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 89, Issue 18, 2014, Pages

Benchmarking exchange-correlation functionals for hydrogen at high pressures using quantum Monte Carlo

(6) Clay, Raymond C a McMinis, Jeremy b McMahon, Jeffrey M a Pierleoni, Carlo c Ceperley, David M a Morales, Miguel A b

a University of Illinois at Urbana Champaign (United States)

b LAWRENCE LIVERMORE NATIONAL LABORATORY (United States)

c UNIVERSITY OF L'AQUILA (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84900510446 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.89.184106 Document Type: Article

Times cited : (118)

References (41)

1
- 84870218937
- RMPHAT 0034-6861 10.1103/RevModPhys.84.1607
- J. McMahon, M. A. Morales, C. Pierleoni, and D. M. Ceperley, Rev. Mod. Phys. 84, 1607 (2012). RMPHAT 0034-6861 10.1103/RevModPhys.84.1607
- (2012) Rev. Mod. Phys. , vol.84 , pp. 1607
- McMahon, J.¹ Morales, M.A.² Pierleoni, C.³ Ceperley, D.M.⁴

2
- 4243353749
- PRLTAO 0031-9007 10.1103/PhysRevLett.76.1860
- S. T. Weir, A. C. Mitchell, and W. J. Nellis, Phys. Rev. Lett. 76, 1860 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.76.1860
- (1996) Phys. Rev. Lett. , vol.76 , pp. 1860
- Weir, S.T.¹ Mitchell, A.C.² Nellis, W.J.³

3
- 6044238274
- NATUAS 0028-0836 10.1038/nature02910
- E. Babaev, A. Sudbø, and N. W. Ashcroft, Nature (London) 431, 666 (2004). NATUAS 0028-0836 10.1038/nature02910
- (2004) Nature (London) , vol.431 , pp. 666
- Babaev, E.¹ Sudbø, A.² Ashcroft, N.W.³

4
- 0242288772
- PRLTAO 0031-9007 10.1103/PhysRevLett.66.2915
- K. Moulopoulos and N. W. Ashcroft, Phys. Rev. Lett. 66, 2915 (1991). PRLTAO 0031-9007 10.1103/PhysRevLett.66.2915
- (1991) Phys. Rev. Lett. , vol.66 , pp. 2915
- Moulopoulos, K.¹ Ashcroft, N.W.²

5
- 6044240836
- NATUAS 0028-0836 10.1038/nature02968
- S. A. Bonev, E. Schwegler, T. Ogitsu, and G. Galli, Nature (London) 431, 669 (2004). NATUAS 0028-0836 10.1038/nature02968
- (2004) Nature (London) , vol.431 , pp. 669
- Bonev, S.A.¹ Schwegler, E.² Ogitsu, T.³ Galli, G.⁴

6
- 80155179401
- PRBMDO 1098-0121 10.1103/PhysRevB.84.144515
- J. M. McMahon and D. M. Ceperley, Phys. Rev. B 84, 144515 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.144515
- (2011) Phys. Rev. B , vol.84 , pp. 144515
- McMahon, J.M.¹ Ceperley, D.M.²

7
- 84877885609
- PRBMDO 1098-0121 10.1103/PhysRevB.87.184107
- M. A. Morales, J. M. McMahon, C. Pierleoni, and D. M. Ceperley, Phys. Rev. B 87, 184107 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.184107
- (2013) Phys. Rev. B , vol.87 , pp. 184107
- Morales, M.A.¹ McMahon, J.M.² Pierleoni, C.³ Ceperley, D.M.⁴

8
- 84873416945
- PRLTAO 0031-9007 10.1103/PhysRevLett.110.065702
- M. A. Morales, J. M. McMahon, C. Pierleoni, and D. M. Ceperley, Phys. Rev. Lett. 110, 065702 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.110.065702
- (2013) Phys. Rev. Lett. , vol.110 , pp. 065702
- Morales, M.A.¹ McMahon, J.M.² Pierleoni, C.³ Ceperley, D.M.⁴

9
- 72249104051
- JCOMEL 0953-8984 10.1088/0953-8984/22/2/022201
- J. Klimeš, D. R. Bowler, and A. Michaelides, J. Phys.: Condens. Matter 22, 022201 (2010). JCOMEL 0953-8984 10.1088/0953-8984/22/2/022201
- (2010) J. Phys.: Condens. Matter , vol.22 , pp. 022201
- Klimeš, J.¹ Bowler, D.R.² Michaelides, A.³

10
- 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 82, 081101 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.081101
- (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

11
- 84873308468
- JCOMEL 0953-8984 10.1088/0953-8984/25/8/085402
- X.-Z. Li, B. Walker, M. I. J. Probert, C. J. Pickard, R. J. Needs, and A. Michaelides, J. Phys.: Condens. Matter 25, 085402 (2013). JCOMEL 0953-8984 10.1088/0953-8984/25/8/085402
- (2013) J. Phys.: Condens. Matter , vol.25 , pp. 085402
- Li, X.-Z.¹ Walker, B.² Probert, M.I.J.³ Pickard, C.J.⁴ Needs, R.J.⁵ Michaelides, A.⁶

12
- 79952078721
- JCPSA6 0021-9606 10.1063/1.3556661
- M. Ceriotti, D. E. Manolopoulos, and M. Parrinello, J. Chem. Phys. 134, 084104 (2011). JCPSA6 0021-9606 10.1063/1.3556661
- (2011) J. Chem. Phys. , vol.134 , pp. 084104
- Ceriotti, M.¹ Manolopoulos, D.E.² Parrinello, M.³

13
- 84881154900
- PRBMDO 1098-0121 10.1103/PhysRevB.88.014115
- S. Azadi and W. M. C. Foulkes, Phys. Rev. B 88, 014115 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.014115
- (2013) Phys. Rev. B , vol.88 , pp. 014115
- Azadi, S.¹ Foulkes, W.M.C.²

14
- 84900477264
- See Supplemental Material at for computational details and tables of density functional error measures.
- See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.89.184106 for computational details and tables of density functional error measures.

15
- 0000109748
- JCPSA6 0021-9606 10.1063/1.473182
- L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, J. Chem. Phys. 106, 1063 (1997). JCPSA6 0021-9606 10.1063/1.473182
- (1997) J. Chem. Phys. , vol.106 , pp. 1063
- Curtiss, L.A.¹ Raghavachari, K.² Redfern, P.C.³ Pople, J.A.⁴

16
- 84863021287
- CSENFA 1521-9615 10.1109/MCSE.2010.122
- K. Esler, J. Kim, D. Ceperley, and L. Shulenburger, Comput. Sci. Eng. 14, 40 (2012). CSENFA 1521-9615 10.1109/MCSE.2010.122
- (2012) Comput. Sci. Eng. , vol.14 , pp. 40
- Esler, K.¹ Kim, J.² Ceperley, D.³ Shulenburger, L.⁴

17
- 84874325224
- 1742-6588 10.1088/1742-6596/402/1/012008
- J. Kim, K. P. Esler, J. McMinis, M. A. Morales, B. K. Clark, L. Shulenburger, and D. M. Ceperley, J. Phys.: Conf. Ser. 402, 012008 (2012). 1742-6588 10.1088/1742-6596/402/1/012008
- (2012) J. Phys.: Conf. Ser. , vol.402 , pp. 012008
- Kim, J.¹ Esler, K.P.² McMinis, J.³ Morales, M.A.⁴ Clark, B.K.⁵ Shulenburger, L.⁶ Ceperley, D.M.⁷

18
- 33947200137
- in, Vol. 703 of Lecture Notes in Physics, edited by M. Ferrario, G. Ciccotti, and K. Binder (Springer, Berlin), pp..
- C. Pierleoni and D. M. Ceperley, in Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 SE-18, Vol. 703 of Lecture Notes in Physics, edited by M. Ferrario, G. Ciccotti, and K. Binder (Springer, Berlin, 2006), pp. 641-683.
- (2006) Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1 SE - 18 , pp. 641-683
- Pierleoni, C.¹ Ceperley, D.M.²

19
- 77249137820
- PLEEE8 1539-3755 10.1103/PhysRevE.81.021202
- M. A. Morales, C. Pierleoni, and D. M. Ceperley, Phys. Rev. E 81, 021202 (2010). PLEEE8 1539-3755 10.1103/PhysRevE.81.021202
- (2010) Phys. Rev. e , vol.81 , pp. 021202
- Morales, M.A.¹ Pierleoni, C.² Ceperley, D.M.³

20
- 77955603954
- PNASA6 0027-8424 10.1073/pnas.1007309107
- M. A. Morales, C. Pierleoni, E. Schwegler, and D. M. Ceperley, Proc. Natl. Acad. Sci. USA 107, 12799 (2010). PNASA6 0027-8424 10.1073/pnas.1007309107
- (2010) Proc. Natl. Acad. Sci. USA , vol.107 , pp. 12799
- Morales, M.A.¹ Pierleoni, C.² Schwegler, E.³ Ceperley, D.M.⁴

21
- 84855947483
- MOPHAM 0026-8976 10.1080/00268976.2011.624992
- E. Liberatore, M. A. Morales, D. M. Ceperley, and C. Pierleoni, Mol. Phys. 109, 3029 (2011). MOPHAM 0026-8976 10.1080/00268976.2011.624992
- (2011) Mol. Phys. , vol.109 , pp. 3029
- Liberatore, E.¹ Morales, M.A.² Ceperley, D.M.³ Pierleoni, C.⁴

22
- 70349568754
- JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
- P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, J. Phys.: Condens. Matter 21, 395502 (2009). JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
- (2009) J. Phys.: Condens. Matter , vol.21 , pp. 395502
- Giannozzi, P.¹ Baroni, S.² Bonini, N.³ Calandra, M.⁴ Car, R.⁵ Cavazzoni, C.⁶ Ceresoli, D.⁷ Chiarotti, G.L.⁸ Cococcioni, M.⁹ Dabo, I.¹⁰

23
- 0002874163
- in, edited by K. Binder (Springer, Berlin), Vol. 7, p..
- D. M. Ceperley and M. H. Kalos, in Monte Carlo Methods in Statistical Physics, edited by K. Binder (Springer, Berlin, 1979), Vol. 7, p. 145.
- (1979) Monte Carlo Methods in Statistical Physics , pp. 145
- Ceperley, D.M.¹ Kalos, M.H.²

24
- 34547264361
- 1745-2473 10.1038/nphys625
- C. J. Pickard and R. J. Needs, Nat. Phys. 3, 473 (2007). 1745-2473 10.1038/nphys625
- (2007) Nat. Phys. , vol.3 , pp. 473
- Pickard, C.J.¹ Needs, R.J.²

25
- 0030554646
- EULEEJ 0295-5075 10.1209/epl/i1996-00489-5
- B. Edwards, N. W. Ashcroft, and T. Lenosky, Europhys. Lett. 34, 519 (1996). EULEEJ 0295-5075 10.1209/epl/i1996-00489-5
- (1996) Europhys. Lett. , vol.34 , pp. 519
- Edwards, B.¹ Ashcroft, N.W.² Lenosky, T.³

26
- 84878618648
- PRBMDO 1098-0121 10.1103/PhysRevB.87.174105
- M. A. Morales, S. Hamel, K. Caspersen, and E. Schwegler, Phys. Rev. B 87, 174105 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.174105
- (2013) Phys. Rev. B , vol.87 , pp. 174105
- Morales, M.A.¹ Hamel, S.² Caspersen, K.³ Schwegler, E.⁴

27
- 12844286241
- PRBMDO 0163-1829 10.1103/PhysRevB.47.558
- G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). PRBMDO 0163-1829 10.1103/PhysRevB.47.558
- (1993) Phys. Rev. B , vol.47 , pp. 558
- Kresse, G.¹ Hafner, J.²

28
- 27744460065
- PRBMDO 0163-1829 10.1103/PhysRevB.49.14251
- G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.49.14251
- (1994) Phys. Rev. B , vol.49 , pp. 14251
- Kresse, G.¹ Hafner, J.²

29
- 0030190741
- CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0
- G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996). CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0
- (1996) Comput. Mater. Sci. , vol.6 , pp. 15
- Kresse, G.¹ Furthmüller, J.²

30
- 25744460922
- PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
- P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
- (1994) Phys. Rev. B , vol.50 , pp. 17953
- Blöchl, P.E.¹

31
- 84860364696
- 1932-7447 10.1021/jp301596v
- H. Liu, H. Wang, and Y. Ma, J. Phys. Chem. C 116, 9221 (2012). 1932-7447 10.1021/jp301596v
- (2012) J. Phys. Chem. C , vol.116 , pp. 9221
- Liu, H.¹ Wang, H.² Ma, Y.³

32
- 26144450583
- PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
- J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
- (1981) Phys. Rev. B , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

33
- 4243943295
- PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

34
- 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. 92, 246401 (2004). PRLTAO 0031-9007 10.1103/PhysRevLett.92.246401
- (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

35
- 79960645403
- PRBMDO 1098-0121 10.1103/PhysRevB.83.195131
- J. Klimeš, D. R. Bowler, and A. Michaelides, Phys. Rev. B 83, 195131 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.195131
- (2011) Phys. Rev. B , vol.83 , pp. 195131
- Klimeš, J.¹ Bowler, D.R.² Michaelides, A.³

36
- 0345491105
- PRBMDO 0163-1829 10.1103/PhysRevB.37.785
- C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). PRBMDO 0163-1829 10.1103/PhysRevB.37.785
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

37
- 4243553426
- 0556-2791 10.1103/PhysRevA.38.3098
- A. D. Becke, Phys. Rev. A 38, 3098 (1988). 0556-2791 10.1103/PhysRevA.38. 3098
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

38
- 61349180195
- PRLTAO 0031-9007 10.1103/PhysRevLett.102.073005
- A. Tkatchenko and M. Scheffler, Phys. Rev. Lett. 102, 073005 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.073005
- (2009) Phys. Rev. Lett. , vol.102 , pp. 073005
- Tkatchenko, A.¹ Scheffler, M.²

39
- 0037799714
- JCPSA6 0021-9606 10.1063/1.1564060
- J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003). JCPSA6 0021-9606 10.1063/1.1564060
- (2003) J. Chem. Phys. , vol.118 , pp. 8207
- Heyd, J.¹ Scuseria, G.E.² Ernzerhof, M.³

40
- 84888331431
- NJOPFM 1367-2630 10.1088/1367-2630/15/11/113005
- S. Azadi, W. M. C. Foulkes, and T. D. Kühne, New J. Phys. 15, 113005 (2013). NJOPFM 1367-2630 10.1088/1367-2630/15/11/113005
- (2013) New J. Phys. , vol.15 , pp. 113005
- Azadi, S.¹ Foulkes, W.M.C.² Kühne, T.D.³

41
- 84888331431
- S. Azadi, W. M. C. Foulkes, and T. D. Kühne, New J. Phys. 15, 113005 (2013). NJOPFM 1367-2630 10.1088/1367-2630/15/11/113005
- (2013) New J. Phys. , vol.15 , pp. 113005
- Azadi, S.¹ Foulkes, W.M.C.² Kühne, T.D.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.