-
1
-
-
0033536177
-
Pairing in dense lithium
-
DOI 10.1038/22067
-
J. B. Neaton and N. W. Ashcroft, Nature (London) 0028-0836 400, 141 (1999). 10.1038/22067 (Pubitemid 29327537)
-
(1999)
Nature
, vol.400
, Issue.6740
, pp. 141-144
-
-
Neaton, J.B.1
Ashcroft, N.W.2
-
2
-
-
0034626739
-
-
0028-0836,. 10.1038/35041515
-
M. Hanfland, K. Syassen, N. E. Christensen, and D. L. Novikov, Nature (London) 0028-0836 408, 174 (2000). 10.1038/35041515
-
(2000)
Nature (London)
, vol.408
, pp. 174
-
-
Hanfland, M.1
Syassen, K.2
Christensen, N.E.3
Novikov, D.L.4
-
3
-
-
49749122958
-
-
0031-9007,. 10.1103/PhysRevLett.101.075703
-
I. Tamblyn, J. -Y. Raty, and S. A. Bonev, Phys. Rev. Lett. 0031-9007 101, 075703 (2008). 10.1103/PhysRevLett.101.075703
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 075703
-
-
Tamblyn, I.1
Raty, J.-Y.2
Bonev, S.A.3
-
4
-
-
0035952956
-
-
0031-9007,. 10.1103/PhysRevLett.86.2830
-
J. B. Neaton and N. W. Ashcroft, Phys. Rev. Lett. 0031-9007 86, 2830 (2001). 10.1103/PhysRevLett.86.2830
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 2830
-
-
Neaton, J.B.1
Ashcroft, N.W.2
-
5
-
-
34848904563
-
Electronic and structural transitions in dense liquid sodium
-
DOI 10.1038/nature06123, PII NATURE06123
-
J. -Y. Raty, E. Schwegler, and S. A. Bonev, Nature (London) 0028-0836 449, 448 (2007). 10.1038/nature06123 (Pubitemid 47509539)
-
(2007)
Nature
, vol.449
, Issue.7161
, pp. 448-451
-
-
Raty, J.-Y.1
Schwegler, E.2
Bonev, S.A.3
-
6
-
-
46649107142
-
-
0036-8075,. 10.1126/science.1155715
-
E. Gregoryanz, L. F. Lundegaard, M. I. McMahon, C. Guillaume, R. J. Nelmes, and M. Mezouar, Science 0036-8075 320, 1054 (2008). 10.1126/science. 1155715
-
(2008)
Science
, vol.320
, pp. 1054
-
-
Gregoryanz, E.1
Lundegaard, L.F.2
McMahon, M.I.3
Guillaume, C.4
Nelmes, R.J.5
Mezouar, M.6
-
7
-
-
38549139481
-
-
0028-0836,. 10.1038/nature06442
-
J. Feng, R. G. Hennig, N. W. Ashcroft, and R. Hoffmann, Nature (London) 0028-0836 451, 445 (2008). 10.1038/nature06442
-
(2008)
Nature (London)
, vol.451
, pp. 445
-
-
Feng, J.1
Hennig, R.G.2
Ashcroft, N.W.3
Hoffmann, R.4
-
8
-
-
62249153966
-
-
0028-0836,. 10.1038/nature07786
-
Y. Ma, M. Eremets, A. R. Oganov, Y. Xie, I. Trojan, S. Medvedev, A. O. Lyakhov, M. Valle, and V. Prakapenka, Nature 0028-0836 458, 182 (2009). 10.1038/nature07786
-
(2009)
Nature
, vol.458
, pp. 182
-
-
Ma, Y.1
Eremets, M.2
Oganov, A.R.3
Xie, Y.4
Trojan, I.5
Medvedev, S.6
Lyakhov, A.O.7
Valle, M.8
Prakapenka, V.9
-
9
-
-
43849105242
-
-
0031-9007,. 10.1103/PhysRevLett.100.197003
-
T. Matsuoka, M. Debessai, J. J. Hamlin, A. K. Gangopadhyay, and J. S. Schilling, Phys. Rev. Lett. 0031-9007 100, 197003 (2008). 10.1103/PhysRevLett. 100.197003
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 197003
-
-
Matsuoka, T.1
Debessai, M.2
Hamlin, J.J.3
Gangopadhyay, A.K.4
Schilling, J.S.5
-
10
-
-
48949087239
-
-
0031-9007,. 10.1103/PhysRevLett.101.046407
-
B. Rousseau and N. W. Ashcroft, Phys. Rev. Lett. 0031-9007 101, 046407 (2008). 10.1103/PhysRevLett.101.046407
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 046407
-
-
Rousseau, B.1
Ashcroft, N.W.2
-
11
-
-
33746652634
-
Predicting crystal structure by merging data mining with quantum mechanics
-
DOI 10.1038/nmat1691, PII NMAT1691
-
C. C. Fischer, K. J. Tibbetts, D. Morgan, and G. Ceder, Nature Mater. 1476-1122 5, 641 (2006). 10.1038/nmat1691 (Pubitemid 44157682)
-
(2006)
Nature Materials
, vol.5
, Issue.8
, pp. 641-646
-
-
Fischer, C.C.1
Tibbetts, K.J.2
Morgan, D.3
Ceder, G.4
-
12
-
-
33751191844
-
-
0010-4655,. 10.1016/j.cpc.2006.07.020
-
C. W. Glass, A. R. Oganov, and N. Hansen, Comput. Phys. Commun. 0010-4655 175, 713 (2006). 10.1016/j.cpc.2006.07.020
-
(2006)
Comput. Phys. Commun.
, vol.175
, pp. 713
-
-
Glass, C.W.1
Oganov, A.R.2
Hansen, N.3
-
13
-
-
33746597118
-
High-pressure phases of silane
-
DOI 10.1103/PhysRevLett.97.045504
-
C. J. Pickard and R. J. Needs, Phys. Rev. Lett. 0031-9007 97, 045504 (2006). 10.1103/PhysRevLett.97.045504 (Pubitemid 44147322)
-
(2006)
Physical Review Letters
, vol.97
, Issue.4
, pp. 045504
-
-
Pickard, C.J.1
Needs, R.J.2
-
14
-
-
6944253328
-
Origin of the complex crystal structures of elements at intermediate pressure
-
DOI 10.1088/1367-2630/6/1/138, PII S1367263004820962
-
G. J. Ackland and I. R. Macleod, New J. Phys. 1367-2630 6, 138 (2004). 10.1088/1367-2630/6/1/138 (Pubitemid 39412227)
-
(2004)
New Journal of Physics
, vol.6
, pp. 1-10
-
-
Ackland, G.J.1
Macleod, I.R.2
-
15
-
-
33747169849
-
Simple metals at high pressures: The Fermi sphere-Brillouin zone interaction model
-
DOI 10.1070/PU2006v049n04ABEH005948
-
V. F. Degtyareva, Phys. Usp. 1063-7869 49, 369 (2006). 10.1070/PU2006v049n04ABEH005948 (Pubitemid 44230985)
-
(2006)
Physics-Uspekhi
, vol.49
, Issue.4
, pp. 369-388
-
-
Degtyareva, V.F.1
-
16
-
-
67650459464
-
-
1367-2630,. 10.1088/1367-2630/11/6/063037
-
V. F. Degtyareva and O. Degtyareva, New J. Phys. 1367-2630 11, 063037 (2009). 10.1088/1367-2630/11/6/063037
-
(2009)
New J. Phys.
, vol.11
, pp. 063037
-
-
Degtyareva, V.F.1
Degtyareva, O.2
-
17
-
-
0000044971
-
-
0950-1207,. 10.1098/rspa.1934.0044
-
H. Jones, Proc. R. Soc. London, Ser. A 0950-1207 144, 225 (1934). 10.1098/rspa.1934.0044
-
(1934)
Proc. R. Soc. London, Ser. A
, vol.144
, pp. 225
-
-
Jones, H.1
-
23
-
-
0009638087
-
-
in, edited by P. S. Rudman, J. Stringer, and R. I. Jaffee (McGraw-Hill, New York).
-
A. Blandin, in Phase Stability in Metals and Alloys, edited by, P. S. Rudman, J. Stringer, and, R. I. Jaffee, (McGraw-Hill, New York, 1966).
-
(1966)
Phase Stability in Metals and Alloys
-
-
Blandin, A.1
-
24
-
-
0009638087
-
-
in, edited by P. S. Rudman, J. Stringer, and R. I. Jaffee (McGraw-Hill, New York).
-
V. Heine, in Phase Stability in Metals and Alloys, edited by, P. S. Rudman, J. Stringer, and, R. I. Jaffee, (McGraw-Hill, New York, 1966).
-
(1966)
Phase Stability in Metals and Alloys
-
-
Heine, V.1
-
26
-
-
0003470014
-
-
in, edited by H. Ehrenreich, F. Seitz, and D. Turnbull (Academic, New York)
-
D. Stroud and N. W. Ashcroft, in Solid State Physics, edited by, H. Ehrenreich, F. Seitz, and, D. Turnbull, (Academic, New York, 1978), Vol. 33.
-
(1978)
Solid State Physics
, vol.33
-
-
Stroud, D.1
Ashcroft, N.W.2
-
27
-
-
25944440782
-
-
0096-8250,. 10.1103/PhysRev.140.A935
-
N. W. Ashcroft, Phys. Rev. 0096-8250 140, A935 (1965). 10.1103/PhysRev.140.A935
-
(1965)
Phys. Rev.
, vol.140
, pp. 935
-
-
Ashcroft, N.W.1
-
28
-
-
0343490373
-
-
0163-1829,. 10.1103/PhysRevB.39.10552
-
N. W. Ashcroft, Phys. Rev. B 0163-1829 39, 10552 (1989). 10.1103/PhysRevB.39.10552
-
(1989)
Phys. Rev. B
, vol.39
, pp. 10552
-
-
Ashcroft, N.W.1
-
29
-
-
0141753037
-
-
0163-1829,. 10.1103/PhysRevB.19.4906
-
N. W. Ashcroft, Phys. Rev. B 0163-1829 19, 4906 (1979). 10.1103/PhysRevB.19.4906
-
(1979)
Phys. Rev. B
, vol.19
, pp. 4906
-
-
Ashcroft, N.W.1
-
30
-
-
0008446990
-
-
0950-1207,. 10.1098/rspa.1997.0080
-
A. T. Paxton, M. Methfessel, and D. G. Pettifor, Proc. R. Soc. London, Ser. A 0950-1207 453, 1493 (1997). 10.1098/rspa.1997.0080
-
(1997)
Proc. R. Soc. London, Ser. A
, vol.453
, pp. 1493
-
-
Paxton, A.T.1
Methfessel, M.2
Pettifor, D.G.3
-
31
-
-
77949676715
-
General introduction to the subgroups of spaces groups
-
The concepts of translationengleiche and klassengleiche subgroups of space groups are discussed in, "," in, edited by H. Wondratschek and U. Müller (Kluwer, Dordrecht), Vol., 10.1107/97809553602060000538
-
The concepts of translationengleiche and klassengleiche subgroups of space groups are discussed in H. Wondratschek, " General introduction to the subgroups of spaces groups.," in International Tables for Crystallography, edited by, H. Wondratschek, and, U. Müller, (Kluwer, Dordrecht, 2008), Vol. A1, pp. 6-23. 10.1107/97809553602060000538
-
(2008)
International Tables for Crystallography
, vol.1
, pp. 6-23
-
-
Wondratschek, H.1
-
32
-
-
0004890449
-
-
in, edited by J. Friedel and A. Guinier, (Benjamin, New York).
-
M. H. Cohen, in Metallic Solid Solutions, edited by, J. Friedel, and, A. Guinier, (Benjamin, New York, 1963).
-
(1963)
Metallic Solid Solutions
-
-
Cohen, M.H.1
-
33
-
-
77949755781
-
-
s about each ion, while neglecting any overlabetween these electron spheres.
-
s about each ion, while neglecting any overlap between these electron spheres.
-
-
-
-
34
-
-
36049060012
-
-
0096-8250,. 10.1103/PhysRev.155.682
-
N. W. Ashcroft and D. C. Langreth, Phys. Rev. 0096-8250 155, 682 (1967). 10.1103/PhysRev.155.682
-
(1967)
Phys. Rev.
, vol.155
, pp. 682
-
-
Ashcroft, N.W.1
Langreth, D.C.2
-
36
-
-
0002208760
-
-
Angew. Chem. 0044-8249, () 10.1002/ange.19390520102;, edited by S. M. Kauzlarich (VCH, New York, 1996).
-
E. Zintl, Angew. Chem. 0044-8249 52, 1 (1939) 10.1002/ange.19390520102; Chemistry, Structure, and Bonding of Zintl Phases and Ions, edited by, S. M. Kauzlarich, (VCH, New York, 1996).
-
(1939)
Chemistry, Structure, and Bonding of Zintl Phases and Ions
, vol.52
, pp. 1
-
-
Zintl, E.1
-
37
-
-
84982368142
-
-
0570-0833,. 10.1002/anie.197306941
-
H. Schäfer, B. Eisenmann, and W. Müller, Angew. Chem., Int. Ed. Engl. 0570-0833 12, 694 (1973). 10.1002/anie.197306941
-
(1973)
Angew. Chem., Int. Ed. Engl.
, vol.12
, pp. 694
-
-
Schäfer, H.1
Eisenmann, B.2
Müller, W.3
-
38
-
-
0004649538
-
-
0002-7863,. 10.1021/ja00077a031
-
Z. Dong and J. D. Corbett, J. Am. Chem. Soc. 0002-7863 115, 11299 (1993). 10.1021/ja00077a031
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 11299
-
-
Dong, Z.1
Corbett, J.D.2
-
39
-
-
0034695856
-
-
0020-1669,. 10.1021/ic990894s
-
J. Evers and G. Oehlinger, Inorg. Chem. 0020-1669 39, 628 (2000). 10.1021/ic990894s
-
(2000)
Inorg. Chem.
, vol.39
, pp. 628
-
-
Evers, J.1
Oehlinger, G.2
-
40
-
-
0003689862
-
-
The two metals only show slight solubility in each other in the liquid state at above 659 °C, see, (ASM International, Materials Park, OH).
-
The two metals only show slight solubility in each other in the liquid state at above 659 °C, see T. B. Massalski, Binary Alloy Phase Diagrams (ASM International, Materials Park, OH, 2000).
-
(2000)
Binary Alloy Phase Diagrams
-
-
Massalski, T.B.1
-
42
-
-
10844243794
-
-
0021-9606,. 10.1063/1.1795731
-
J. K. Kang, J. Y. Lee, R. P. Muller, and W. A. Goddard III, J. Chem. Phys. 0021-9606 121, 10623 (2004). 10.1063/1.1795731
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 10623
-
-
Kang, J.K.1
Lee, J.Y.2
Muller, R.P.3
Iii, A.G.W.4
-
43
-
-
11544291158
-
-
0022-3719,. 10.1088/0022-3719/4/9/021
-
J. E. Inglesfield, J. Phys. C 0022-3719 4, 1003 (1971). 10.1088/0022-3719/4/9/021
-
(1971)
J. Phys. C
, vol.4
, pp. 1003
-
-
Inglesfield, J.E.1
-
44
-
-
0003502572
-
-
0022-3719,. 10.1088/0022-3719/6/1/012
-
M. B. McNeil, W. B. Pearson, L. H. Bennett, and R. E. Watson, J. Phys. C 0022-3719 6, 1 (1973). 10.1088/0022-3719/6/1/012
-
(1973)
J. Phys. C
, vol.6
, pp. 1
-
-
McNeil, M.B.1
Pearson, W.B.2
Bennett, L.H.3
Watson, R.E.4
-
45
-
-
77949743353
-
-
This implies that the free-electron sphere intersects the specified zone planes, and yet the large zone is not entirely inside the sphere; that is, the Fermi sphere is somewhere between "inscribed" and " inscribing" surfaces relative to the large zone.
-
This implies that the free-electron sphere intersects the specified zone planes, and yet the large zone is not entirely inside the sphere; that is, the Fermi sphere is somewhere between "inscribed" and " inscribing" surfaces relative to the large zone.
-
-
-
-
46
-
-
2742559700
-
-
0021-8898,. 10.1107/S0021889895014920
-
W. Kraus and G. Nolze, J. Appl. Crystallogr. 0021-8898 29, 301 (1996). 10.1107/S0021889895014920
-
(1996)
J. Appl. Crystallogr.
, vol.29
, pp. 301
-
-
Kraus, W.1
Nolze, G.2
-
47
-
-
0000430723
-
-
0022-3719,. 10.1088/0022-3719/1/1/326
-
N. W. Ashcroft, J. Phys. C 0022-3719 1, 232 (1968). 10.1088/0022-3719/1/ 1/326
-
(1968)
J. Phys. C
, vol.1
, pp. 232
-
-
Ashcroft, N.W.1
-
48
-
-
34547264982
-
2 under pressure
-
DOI 10.1103/PhysRevLett.98.247002
-
J. Feng, " Theoretical aspects of light-element alloys under extremely high pressure.," Ph.D. thesis, Cornell University, 2007; J. Feng, N. W. Ashcroft, and R. Hoffmann, Phys. Rev. Lett. 0031-9007 98, 247002 (2007). 10.1103/PhysRevLett.98.247002 (Pubitemid 47139881)
-
(2007)
Physical Review Letters
, vol.98
, Issue.24
, pp. 247002
-
-
Feng, J.1
Ashcroft, N.W.2
Hoffmann, R.3
-
49
-
-
77949718429
-
-
We also optimized the structure in a fourfold supercell with 16 atoms at ∼20, 40, 60 and 80 GPa, without any point-grouin the starting structure or any symmetry constraint. The resultant structures show very small distortions from the cubic double-diamond structure. With a 0.1 Å tolerance, all of these supercells are identical to the cubic double-diamond structure. The energy difference due these small distortions is negligibly small.
-
We also optimized the structure in a fourfold supercell with 16 atoms at ∼20, 40, 60 and 80 GPa, without any point-group in the starting structure or any symmetry constraint. The resultant structures show very small distortions from the cubic double-diamond structure. With a 0.1 Å tolerance, all of these supercells are identical to the cubic double-diamond structure. The energy difference due these small distortions is negligibly small.
-
-
-
-
50
-
-
77949697367
-
-
See supplementary material at E-JCPSA6-132-004009 for the auxiliary materials.
-
See supplementary material at http://dx.doi.org//10.1063/1.3328198 E-JCPSA6-132-004009 for the auxiliary materials.
-
-
-
-
51
-
-
0021467019
-
-
in, edited by R. W. Cahn and P. Haasen (North-Holland, Amsterdam), Cha;, Solid State Commun. 0038-1098, (1984). 10.1016/0038-1098(84)90765-8
-
D. G. Pettifor, in Physical Metallurgy, edited by, R. W. Cahn, and, P. Haasen, (North-Holland, Amsterdam, 1983), Chap.; D. G. Pettifor, Solid State Commun. 0038-1098 51, 31 (1984). 10.1016/0038-1098(84)90765-8
-
(1983)
Physical Metallurgy
, vol.51
, pp. 31
-
-
Pettifor, D.G.1
Pettifor, D.G.2
-
52
-
-
0000131326
-
-
0163-1829,. 10.1103/PhysRevB.31.5015
-
P. C. Schmidt, Phys. Rev. B 0163-1829 31, 5015 (1985). 10.1103/PhysRevB.31.5015
-
(1985)
Phys. Rev. B
, vol.31
, pp. 5015
-
-
Schmidt, P.C.1
-
53
-
-
0002679035
-
-
0163-1829,. 10.1103/PhysRevB.32.207
-
N. E. Christensen, Phys. Rev. B 0163-1829 32, 207 (1985). 10.1103/PhysRevB.32.207
-
(1985)
Phys. Rev. B
, vol.32
, pp. 207
-
-
Christensen, N.E.1
-
54
-
-
34047105194
-
-
0020-1669,. 10.1021/ic062256x
-
J. Köhler, S. Deng, C. Lee, and M. -H. Whangbo, Inorg. Chem. 0020-1669 46, 1957 (2007). 10.1021/ic062256x
-
(2007)
Inorg. Chem.
, vol.46
, pp. 1957
-
-
Köhler, J.1
Deng, S.2
Lee, C.3
Whangbo, M.-H.4
-
55
-
-
0001447105
-
-
0163-1829,. 10.1103/PhysRevB.17.2582
-
A. Zunger, Phys. Rev. B 0163-1829 17, 2582 (1978). 10.1103/PhysRevB.17. 2582
-
(1978)
Phys. Rev. B
, vol.17
, pp. 2582
-
-
Zunger, A.1
-
56
-
-
0346927956
-
-
0021-9606,. 10.1063/1.1734456
-
R. Hoffmann, J. Chem. Phys. 0021-9606 39, 1397 (1963). 10.1063/1.1734456
-
(1963)
J. Chem. Phys.
, vol.39
, pp. 1397
-
-
Hoffmann, R.1
-
58
-
-
77949750992
-
-
For a detailed discussion of the relationshiof LCAO and nearly free-electron states, see, "," (to be published).
-
For a detailed discussion of the relationship of LCAO and nearly free-electron states, see R. Berger, S. Lee, and R. Hoffmann, " Using linear combination of atomic orbitals to understand Hume-Rothery' electron-counting rule in complex phases: From 1-D to gamma-brass.," (to be published).
-
Using Linear Combination of Atomic Orbitals to Understand Hume-Rothery' Electron-counting Rule in Complex Phases: From 1-D to Gamma-brass
-
-
Berger, R.1
Lee, S.2
Hoffmann, R.3
-
59
-
-
4243768791
-
-
0031-9007,. 10.1103/PhysRevLett.35.104
-
D. U. Gubser and A. W. Webb, Phys. Rev. Lett. 0031-9007 35, 104 (1975). 10.1103/PhysRevLett.35.104
-
(1975)
Phys. Rev. Lett.
, vol.35
, pp. 104
-
-
Gubser, D.U.1
Webb, A.W.2
-
60
-
-
10644250257
-
-
0096-8250, () 10.1103/PhysRev.136.B864;, Phys. Rev. 0096-8250 140, 1133A (1965). 10.1103/PhysRev.140.A1133
-
P. Hohenberg and W. Kohn, Phys. Rev. 0096-8250 136, 864B (1964) 10.1103/PhysRev.136.B864; W. Kohn and L. J. Sham, Phys. Rev. 0096-8250 140, 1133A (1965). 10.1103/PhysRev.140.A1133
-
(1964)
Phys. Rev.
, vol.136
-
-
Hohenberg, P.1
Kohn, W.2
Kohn, W.3
Sham, L.J.4
-
61
-
-
0030190741
-
-
All calculations are performed with the Vienna ab initio simulations package (VASP), see, 0927-0256, () 10.1016/0927-0256(96)00008-0;, Phys. Rev. B 0163-1829 54, 169 (1996). 10.1103/PhysRevB.54.11169
-
All calculations are performed with the Vienna ab initio simulations package (VASP), see G. Kresse and J. Furthmller, Comput. Mater. Sci. 0927-0256 6, 15 (1996) 10.1016/0927-0256(96)00008-0; G. Kresse and J. Furthmller, Phys. Rev. B 0163-1829 54, 169 (1996). 10.1103/PhysRevB.54.11169
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15
-
-
Kresse, G.1
Furthmller, J.2
Kresse, G.3
Furthmller, J.4
-
62
-
-
25744460922
-
-
0163-1829, () 10.1103/PhysRevB.50.17953;, Phys. Rev. B 0163-1829 59, 1758 (1999). 10.1103/PhysRevB.59.1758
-
P. P. Blöchl, Phys. Rev. B 0163-1829 50, 17953 (1994) 10.1103/PhysRevB.50.17953; G. Kresse and D. Joubert, Phys. Rev. B 0163-1829 59, 1758 (1999). 10.1103/PhysRevB.59.1758
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöchl, P.P.1
Kresse, G.2
Joubert, D.3
-
63
-
-
4243943295
-
-
0031-9007,. 10.1103/PhysRevLett.77.3865
-
J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
64
-
-
33744596259
-
-
0163-1829, () 10.1103/PhysRevB.28.1809;, Phys. Rev. A 1050-2947 38, 3098 (1988). 10.1103/PhysRevA.38.3098
-
D. C. Langreth and M. J. Mehl, Phys. Rev. B 0163-1829 28, 1809 (1983) 10.1103/PhysRevB.28.1809; A. D. Becke, Phys. Rev. A 1050-2947 38, 3098 (1988). 10.1103/PhysRevA.38.3098
-
(1983)
Phys. Rev. B
, vol.28
, pp. 1809
-
-
Langreth, D.C.1
Mehl, M.J.2
Becke, A.D.3
-
65
-
-
1842816907
-
-
0163-1829,. 10.1103/PhysRevB.13.5188
-
H. J. Monkhorst and J. D. Pack, Phys. Rev. B 0163-1829 13, 5188 (1976). 10.1103/PhysRevB.13.5188
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
66
-
-
25044437775
-
-
0163-1829,. 10.1103/PhysRevB.49.16223
-
P. E. Blöchl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 0163-1829 49, 16223 (1994). 10.1103/PhysRevB.49.16223
-
(1994)
Phys. Rev. B
, vol.49
, pp. 16223
-
-
Blöchl, P.E.1
Jepsen, O.2
Andersen, O.K.3
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