SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 64, Issue 15, 2001, Pages 1552031-15520310

Unconstrained and constrained minimization, localization, and the Grassmann manifold: Theory and application to electronic structure

(5) Raczkowski, David a Fong, C Y a Schultz, Peter A b Lippert, R A b Stechel, E B c

a UNIVERSITY OF CALIFORNIA (United States)

b SANDIA NATIONAL LABORATORIES (United States)

c FORD MOTOR COMPANY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURACY; ALGORITHM; ARTICLE; ATOMIC PARTICLE; CALCULATION; DENSITY; ELECTRON; STRUCTURE ANALYSIS;

EID: 0141479340 PISSN: 01631829 EISSN: None Source Type: Journal
DOI: 10.1103/PhysRevB.64.155203 Document Type: Article

Times cited : (12)

References (55)

1
- 84988749094
- (1994) Phys. Rev. B , vol.49 , pp. 10008
- Stechel, E.B.¹ Williams, A.R.² Feibelman, P.J.³

2
- 0000729582
- (1995) Phys. Rev. B , vol.51 , pp. 1456
- Ordejón, P.¹ Diabold, D.A.² Mortin, R.H.³ Grumbach, M.P.⁴

3
- 0001336950
- (1994) Phys. Rev. B , vol.50 , pp. 4316
- Mauri, F.¹ Galli, G.²

4
- 0000244042
- (1994) Phys. Rev. B , vol.50 , pp. 17811
- Hierse, W.¹ Stechel, E.B.²

5
- 0000303596
- (1995) Phys. Rev. B , vol.52 , pp. 1640
- Kim, J.¹ Mauri, F.² Galli, G.³

6
- 0001763858
- (1998) Phys. Rev. B , vol.58 , pp. 13472
- Stephan, U.¹ Drabold, D.A.² Martin, R.M.³

7
- 33645885675
- (1989) Phys. Rev. B , vol.40 , pp. 12255
- Teter, M.P.¹ Payne, M.C.² Allan, D.C.³

8
- 24044469773
- (1989) J. Phys.: Condens. Matter , vol.1 , pp. 689
- Gillan, M.J.¹

9
- 3843075351
- (1992) Phys. Rev. Lett. , vol.69 , pp. 3547
- Galli, G.¹ Parrinello, M.²

10
- 25044459461
- (1994) Phys. Rev. B , vol.49 , pp. 5828
- King-Smith, R.D.¹ Vanderbilt, D.²

11
- 0000625523
- (1989) Phys. Rev. B , vol.39 , pp. 4997
- Stich, I.¹ Car, R.² Parrinello, M.³ Baroni, S.⁴

12
- 35949007371
- (1993) Phys. Rev. B , vol.47 , pp. 10891
- Li, X.-P.¹ Nunes, R.W.² Vanderbilt, D.³

13
- 0001586626
- (1993) Phys. Rev. B , vol.47 , pp. 10895
- Daw, M.S.¹

14
- 0001554805
- (1994) Phys. Rev. B , vol.50 , pp. 17611
- Nunes, R.W.¹ Vanderbilt, D.²

15
- 0033177477
- (1999) Comput. Phys. Commun. , vol.120 , pp. 95
- Bowler, D.R.¹ Gillan, M.J.²

16
- 33744656720
- (1998) Phys. Rev. B , vol.58 , pp. 1270
- Palser, A.H.R.¹ Manolopoulos, D.E.²

17
- 5244240756
- (1997) J. Chem. Phys. , vol.106 , pp. 5569
- Millam, J.M.¹ Scuseria, G.E.²

18
- 0001514496
- (1999) J. Chem. Phys. , vol.110 , pp. 2332
- Challacombe, M.¹

19
- 4043140349
- (1996) Phys. Rev. Lett. , vol.76 , pp. 3168
- Kohn, W.¹

20
- 0032216898
- (1998) SIAM J. Matrix Anal. Appl. , vol.20 , pp. 303
- Edelman, A.¹ Arias, T.A.² Smith, S.T.³

21
- 33744647053
- Sandiz National Laboratories, Albuquerque, New Mexico
- (1999) Report No. SAND99-2986
- Lippert, R.A.¹ Sears, M.P.²

22
- 10644250257
- (1964) Phys. Rev. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

23
- 0042113153
- (1965) Phys. Rev. , vol.140 , pp. A1133
- Kohn, W.¹ Sham, L.J.²

24
- 1542603298
- (1996) BIT , vol.36 , pp. 494
- Edelman, A.¹ Smith, S.T.²

25
- 84995196485
- (1968) Int. J. Quantum Chem. , vol.2 , pp. 867
- Löwdin, P.-O.¹

26
- 0011407476
- (1960) Rev. Mod. Phys. , vol.32 , pp. 335
- McWeeny, R.¹

27
- 0003071598
- (1984) Theor. Chim. Acta. , vol.65 , pp. 233
- Sinanoglu, O.¹

28
- 33744599281
- (1991) Rev. Phys. A , vol.43 , pp. 5770
- Artacho, E.¹ Bosch, L.M.D.²

29
- 84988752820
- edited by C. Y. Fong (World Scientific, Singapore)
- (1998) Topics in Computational Materials Science , pp. 1
- Stechel, E.B.¹

30
- 84967589632
- Cambridge University Press, Cambridge
- (1980) Geometrical Methods of Mathematical Physic
- Schutz, B.F.¹

31
- 0003790194
- Cambridge University Press, Cambridge
- (1994) Differential Forms and Connections
- Darling, R.W.R.¹

32
- 0001453782
- (2000) J. Chem. Phys. , vol.112 , pp. 1634
- Liu, S.¹ Perez-Jorda, J.M.² Yang, W.³

33
- 0004632879
- (1968) Phys. Rev. Lett. , vol.21 , pp. 13
- Anderson, P.W.¹

34
- 0035805902
- (2001) Phys. Rev. Lett. , vol.86 , pp. 5341
- He, L.¹ Vanderbilt, D.²

35
- 17044424712
- (2000) Phys. Rev. B , vol.61 , pp. 12772
- Lippert, R.A.¹ Sears, M.P.²

36
- 0031565710
- (1997) Chem. Phys. Lett. , vol.276 , pp. 133
- White, C.A.¹

37
- 0000170529
- (1999) Phys. Rev. B , vol.59 , pp. 12352
- Pask, J.¹

38
- 0000309751
- (1998) J. Phys. Soc. Jpn. , vol.67 , pp. 3844
- Tsuchida, E.¹ Tsukada, M.²

39
- 0000054413
- (1996) Phys. Rev. B , vol.54 , pp. 14362
- Briggs, E.L.¹ Sullivan, D.J.² Bernholc, J.³

40
- 3843133047
- (1994) Phys. Rev. Lett. , vol.72 , pp. 1240
- Chelikowsky, J.R.¹ Troullier, N.² Saad, Y.³

41
- 0001686146
- (1997) Phys. Rev. B , vol.55 , pp. 10289
- Modine, N.A.¹ Zumbach, G.² Kaxiras, E.³

42
- 84988743384
- unpublished
- Schultz, P.¹ Feibelman, P.J.²

43
- 84988777644
- unpublished
- Schultz, P.A.¹

44
- 0000247202
- (1998) J. Chem. Phys. , vol.109 , pp. 1663
- Ochsenfeld, C.¹ White, C.A.² Head-Gordon, M.³

45
- 0032546686
- (1998) Chem. Phys. Lett. , vol.289 , pp. 611
- Kudin, K.N.¹ Scuseria, G.E.²

46
- 0000484587
- (1997) J. Chem. Phys. , vol.106 , pp. 9708
- Schwegler, E.¹ Challacombe, M.² Head-Gordon, M.³

47
- 0030602764
- (1996) Chem. Phys. Lett. , vol.257 , pp. 213
- Stratmann, R.E.¹ Scuserai, G.E.² Frisch, M.J.³

48
- 0000332113
- (1995) Chem. Phys. Lett. , vol.241 , pp. 469
- Perez-Jorda, J.M.¹ Yang, W.²

49
- 0003465464
- (Prentice-Hall, Englewood Cliffs, New Jersey), Chapter 5
- (1973) Algorithms for Minimization Without Derivative
- More, J.J.¹ Thuente, D.J.² Brent, R.P.³

50
- 0032607110
- (1999) Appl. Phys. Lett. , vol.75 , pp. 88
- Gubanov, V.A.¹ Fong, C.Y.²

51
- 0000618201
- (1994) Phys. Rev. B , vol.50 , pp. 17037
- Käckell, P.¹ Wenzien, B.² Bechstedt, F.³

52
- 0000748934
- (1994) Phys. Rev. B , vol.4 , pp. 4485
- Park, C.H.¹

53
- 0000145527
- (1998) Phys. Rev. B , vol.57 , pp. 12017
- Limpijumnong, S.¹ Lambrecht, W.R.L.²

54
- 1842816907
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

55
- 0000936574
- (1989) Phys. Rev. B , vol.39 , pp. 3168
- Froyen, S.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.