SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 63, Issue 12, 2001, Pages 1251211-12512112

Relativistic extension of the Troullier-Martins scheme: Accurate pseudopotentials for transition-metal elements

(3) Engel, E a Hock A a Varga, S b

a GOETHE UNIVERSITY (Germany)

b CHALMERS UNIVERSITY OF TECHNOLOGY (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

IRON; METAL; OXIDE;

ACCELERATION; ARTICLE; CALCULATION; DYNAMICS; ELECTRON; ELECTRONICS; NONLINEAR SYSTEM; SPECTROSCOPY;

EID: 3042552406 PISSN: 01631829 EISSN: None Source Type: Journal
DOI: 10.1103/physrevb.63.125121 Document Type: Article

Times cited : (23)

References (73)

1
- 0000085248
- (1997) Phys. Rev. B , vol.56 , pp. 15629
- Moroni, E.G.¹ Kresse, G.² Hafner, J.³ Furthmüller, J.⁴

2
- 0000917236
- (1995) Phys. Rev. B , vol.52 , pp. 6313
- Chetty, N.¹ Weinert, M.² Rahman, T.S.³ Davenport, J.W.⁴

3
- 0001016085
- (1997) Phys. Rev. B , vol.56 , pp. 3072
- Krajci, M.¹ Hafner, J.² Mihalkovic, M.³

4
- 0001468348
- (1998) Phys. Rev. B , vol.58 , pp. 5378
- Krajci, M.¹ Hafner, J.²

5
- 0001116833
- (1999) Phys. Rev. Lett. , vol.82 , pp. 4886
- Morgan, C.G.¹ Kratzer, P.² Scheffler, M.³

6
- 0001496730
- (1993) Phys. Rev. B , vol.48 , pp. 2081
- Barnett, R.N.¹ Landman, U.²

7
- 0000928098
- (1999) J. Chem. Phys. , vol.110 , pp. 10452
- Eichinger, M.¹ Tavan, P.² Hutter, J.³ Parinello, M.⁴

8
- 0033580290
- (1999) Nature (London) , vol.397 , pp. 601
- Marx, D.¹ Tuckerman, M.E.² Hutter, J.³ Parinello, M.⁴

9
- 24544460330
- (1979) Phys. Rev. Lett. , vol.43 , pp. 1494
- Hamann, D.R.¹ Schlüter, M.² Chiang, C.³

10
- 3743048569
- (1982) Phys. Rev. B , vol.26 , pp. 4199
- Bachelet, G.B.¹ Hamann, D.R.² Schlüter, M.³

11
- 33645426115
- (1991) Phys. Rev. B , vol.43 , pp. 1993
- Troullier, N.¹ Martins, J.L.²

12
- 84988771319
- Springer, Berlin
- (1990) Density Functional Theory
- Dreizler, R.M.¹ Gross, E.K.U.²

13
- 0000446840
- (1983) Phys. Rev. B , vol.28 , pp. 5536
- Painter, G.S.¹ Averill, F.W.²

14
- 36449002610
- (1995) J. Chem. Phys. , vol.103 , pp. 3589
- Van Wüllen, C.¹

15
- 0000770548
- (1996) Phys. Rev. A , vol.54 , pp. 4775
- Mayer, M.¹ Häberlen, O.D.² Rösch, N.³

16
- 0038218089
- (1988) Chem. Rev. , vol.88 , pp. 563
- Pyykkö, P.¹

17
- 0033148229
- (1999) Comput. Phys. Commun. , vol.119 , pp. 67
- Fuchs, M.¹ Scheffler, M.²

18
- 0001647313
- (1996) J. Chem. Phys. , vol.106 , pp. 3623
- Seth, M.¹ Schwerdtfeger, P.² Dolg, M.³

19
- 0000400671
- (1998) J. Chem. Phys. , vol.108 , pp. 7980
- Rakowitz, F.¹ Casarrubios, M.² Seijo, L.³ Marian, C.M.⁴

20
- 84988743752
- to be published
- Phys. Rev. B
- Theurich, G.¹ Hill, N.H.²

21
- 0000010789
- (2000) J. Chem. Phys. , vol.113 , pp. 2506
- Liu, W.¹ Van Wüllen, C.²

22
- 0033593691
- (1999) J. Chem. Phys. , vol.110 , pp. 3730

23
- 0000549623
- (1982) Phys. Rev. B , vol.26 , pp. 1738
- Louie, S.G.¹ Froyen, S.² Cohen, M.L.³

24
- 0000345305
- (1992) Phys. Rev. B , vol.45 , pp. 8887
- Zhu, J.¹ Wang, X.W.² Louie, S.G.³

25
- 0001042310
- (1996) Phys. Rev. B , vol.53 , pp. 10685
- Cho, J.-H.¹ Scheffler, M.²

26
- 0000242945
- (1995) Chem. Phys. Lett. , vol.233 , pp. 632
- Ballone, P.¹ Jones, R.O.²

27
- 0001029098
- (1998) Phys. Rev. Lett. , vol.80 , pp. 3622
- Oda, T.¹ Pasquarello, A.² Car, R.³

28
- 0000511630
- (1999) Phys. Rev. B , vol.60 , pp. 14132
- Porezag, D.¹ Pederson, M.A.² Liu, A.Y.³

29
- 0000307223
- (1998) Phys. Rev. B , vol.57 , pp. 2134
- Fuchs, M.¹ Bockstedte, M.² Pehlke, E.³ Scheffler, M.⁴

30
- 0000276605
- (1991) Phys. Rev. B , vol.44 , pp. 6558
- Chen, J.L.¹ Wang, C.S.² Jackson, K.A.³ Pederson, M.A.⁴

31
- 0000732180
- (1994) Phys. Rev. B , vol.49 , pp. 11842
- Castro, M.¹ Salahub, D.R.²

32
- 0031555994
- (1997) Chem. Phys. Lett. , vol.271 , pp. 133
- Castro, M.¹ Jamorski, C.² Salahub, D.R.³

33
- 0000747290
- (1999) Phys. Rev. B , vol.59 , pp. 762
- Fang, Z.¹ Solovyev, I.V.² Sawada, H.³ Terakura, K.⁴

34
- 84988744635
- note

35
- 36549101908
- (1985) J. Chem. Phys. , vol.82 , pp. 5584
- Krauss, M.¹ Stevens, W.J.²

36
- 36749104665
- (1980) J. Chem. Phys. , vol.73 , pp. 1381
- Murad, E.¹

37
- 0001358483
- (1981) J. Mol. Spectrosc. , vol.87 , pp. 289
- Cheung, A.S.C.¹ Gordon, R.M.² Merer, A.J.³

38
- 84988762212
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

39
- 0000146686
- (1995) Phys. Rev. Lett. , vol.74 , pp. 3660
- Bylander, D.M.¹ Kleinman, L.²

40
- 0000072477
- (1995) Phys. Rev. B , vol.52 , pp. 14566

41
- 0000126706
- (1996) Phys. Rev. B , vol.54 , pp. 7891

42
- 0001196051
- (1997) Phys. Rev. B , vol.55 , pp. 9432

43
- 0031571921
- (1997) Phys. Rev. Lett. , vol.79 , pp. 2089
- Städele, M.¹ Majewski, J.A.² Vogl, P.³ Görling, A.⁴

44
- 0141948495
- (1999) Phys. Rev. B , vol.59 , pp. 10031
- Städele, M.¹ Moukara, M.² Majewski, J.A.³ Vogl, P.⁴ Görling, A.⁵

45
- 0343873261
- (1998) Phys. Rev. A , vol.58 , pp. 3578
- Höck, A.¹ Engel, E.²

46
- 0010309669
- (1999) J. Comput. Chem. , vol.20 , pp. 31
- Engel, E.¹ Dreizler, R.M.²

47
- 84988767673
- note

48
- 84988746154
- note

49
- 0000695754
- (1998) Phys. Rev. A , vol.58 , pp. 964
- Engel, E.¹ Facco Bonetti, A.² Keller, S.³ Andrejkovics, I.⁴ Dreizler, R.M.⁵

50
- 0003645841
- Wiley, New York
- (1957) Elementary Theory of Angular Momentum
- Rose, M.E.¹

51
- 84988746893
- note

52
- 84988746204
- note

53
- 84988746198
- note

54
- 0342955692
- 042502
- (2000) Phys. Rev. A , vol.62
- Engel, E.¹ Höck, A.² Dreizler, R.M.³

55
- 0038023343
- (1973) Chem. Phys. , vol.2 , pp. 41
- Baerends, E.J.¹

56
- 28144440701
- (1992) J. Comput. Phys. , vol.99 , pp. 84
- Te Velde, G.¹ Baerends, E.J.²

57
- 0002540271
- edited by E. Clementi and G, Corongiu (STEF, Cagliar)
- (1995) METECC95 - Methods and Techniques in Computational Chemistry , pp. 305
- Fonseca Guerra, C.¹ Visser, O.² Snijders, J.G.³ Te Velde, G.⁴ Baerends, E.J.⁵

58
- 17744364053
- 052511
- (2000) Phys. Rev. A , vol.62
- Fertig, H.A.¹ Kohn, W.²

59
- 0001582065
- (1987) Phys. Rev. Lett. , vol.59 , pp. 1285
- Kutzler, F.W.¹ Painter, G.S.²

60
- 84988746860
- note

61
- 20544463457
- (1990) Phys. Rev. B , vol.41 , pp. R7892
- Vanderbilt, D.¹

62
- 0000298616
- (1985) Phys. Rev. B , vol.31 , pp. 7588
- Gunnarsson, O.¹ Jones, R.O.²

63
- 33744659466
- (1989) Phys. Rev. A , vol.39 , pp. 4972
- Lagowski, J.B.¹ Vosko, S.H.²

64
- 84988746856
- note

65
- 5844306937
- (1989) Phys. Rev. B , vol.40 , pp. 2980
- Hamann, D.R.¹

66
- 84988757816
- note

67
- 0031997514
- (1998) J. Chem. Phys. , vol.102 , pp. 1126
- Veliah, S.¹ Xiang, K.² Pandey, R.³ Recio, J.M.⁴ Newsam, J.M.⁵

68
- 0003919078
- Van Nostrand Reinhold, New York
- (1979) Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules
- Huber, K.P.¹ Herzberg, G.L.²

69
- 0001075346
- (1982) Phys. Rev. B , vol.25 , pp. 4412
- Purdum, H.¹ Montana, P.A.² Shenoy, G.K.³ Morrison, T.⁴

70
- 0001098664
- (1984) J. Chem. Phys. , vol.80 , pp. 626
- Moskovits, M.¹ DiLella, D.P.² Limm, W.³

71
- 0001250724
- (1980) J. Chem. Phys. , vol.73 , pp. 4917
- Moskovits, M.¹ DiLella, D.P.²

72
- 0001009598
- (1984) J. Chem. Phys. , vol.80 , pp. 5400
- Morse, M.D.¹ Hansen, G.P.² Langridge-Smith, P.R.R.³ Zheng, L.-S.⁴ Geusic, M.E.⁵ Michalopoulos, D.L.⁶ Smalley, R.E.⁷

73
- 0001464698
- (1977) J. Chem. Phys. , vol.66 , pp. 3988
- Moskovits, M.¹ Hulse, J.E.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.