-
2
-
-
33744691386
-
Ground state of the electron gas by a stochastic method
-
Ceperley, D.M. and Alder, B.J. (1980) Ground state of the electron gas by a stochastic method. Physical Review Letters, 45, 566-569.
-
(1980)
Physical Review Letters
, vol.45
, pp. 566-569
-
-
Ceperley, D.M.1
Alder, B.J.2
-
3
-
-
84892390053
-
Pseudopotentials and total energy calculations
-
Cohen, M.L. (1982) Pseudopotentials and total energy calculations. Physical Scripta, T1, 5-7.
-
(1982)
Physical Scripta
, vol.T1
, pp. 5-7
-
-
Cohen, M.L.1
-
5
-
-
0018543611
-
Bulk modulus-volume relationship for cation-anion polyhedra
-
Hazen, R.M. and Finger, L.W. (1979) Bulk modulus-volume relationship for cation-anion polyhedra. Journal of Geophysical Research. 84, 6723-6728.
-
(1979)
Journal of Geophysical Research
, vol.84
, pp. 6723-6728
-
-
Hazen, R.M.1
Finger, L.W.2
-
6
-
-
0344618459
-
Bulk modulus-volume relationship for cationanion polyhedra
-
_ and _ . (1979) Bulk modulus-volume relationship for cationanion polyhedra. Journal of Geophysical Research, 84, 6273-6278.
-
(1979)
Journal of Geophysical Research
, vol.84
, pp. 6273-6278
-
-
-
7
-
-
0030425478
-
Effects on pressure on order-disorder reactions
-
Hazen, R.M. and Navrotsky. A. (1996) Effects on pressure on order-disorder reactions. American Mineralogist, 81, 1021-1035.
-
(1996)
American Mineralogist
, vol.81
, pp. 1021-1035
-
-
Hazen, R.M.1
Navrotsky, A.2
-
8
-
-
0030828992
-
5, caused by cation disorder
-
5), caused by cation disorder. Science, 277, 1965-1967.
-
(1997)
Science
, vol.277
, pp. 1965-1967
-
-
Hazen, R.M.1
Yang, H.2
-
9
-
-
0027807988
-
Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si disorder
-
Hazen, R.M., Downs, R.T., Finger, L.W., and Ko, J. ( 1993) Crystal chemistry of ferromagnesian silicate spinels: Evidence for Mg-Si disorder. American Mineralogist, 78, 1320-1323.
-
(1993)
American Mineralogist
, vol.78
, pp. 1320-1323
-
-
Hazen, R.M.1
Downs, R.T.2
Finger, L.W.3
Ko, J.4
-
10
-
-
0026448137
-
Petrology, elasticity and composition of the mantle transition zone
-
Ita, J. and Stixrude, L. (1992) Petrology, elasticity and composition of the mantle transition zone. Journal of Geophysical research, 97, 6849-6866.
-
(1992)
Journal of Geophysical Research
, vol.97
, pp. 6849-6866
-
-
Ita, J.1
Stixrude, L.2
-
11
-
-
0042313519
-
Seismic anisotropy in the deep mantle, boundary layers and the geometry of mantle convection
-
Plomerova J., Babuska, V. N.. and Libermann, R.C., Eds.
-
Karato, S. (1997) Seismic anisotropy in the deep mantle, boundary layers and the geometry of mantle convection. In Plomerova J., Babuska, V. N.. and Libermann, R.C., Eds., Geodynamics of the Lithosphere and the Earth's Mantle.
-
(1997)
Geodynamics of the Lithosphere and the Earth's Mantle
-
-
Karato, S.1
-
13
-
-
0042113153
-
Self-consistent equations including exchange and correlation effects
-
Kohn, W. and Sham, L.J. (1965) Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133-A1138.
-
(1965)
Physical Review
, vol.140
-
-
Kohn, W.1
Sham, L.J.2
-
15
-
-
1842816907
-
Special points for Brillouin-zone integrations
-
Monkhorst, H.J. and Pack, J.D. (1976) Special points for Brillouin-zone integrations. Physical Review B (13), 5188-5192.
-
(1976)
Physical Review B
, Issue.13
, pp. 5188-5192
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
16
-
-
0020641731
-
Simple spinels: Crystallographic parameters, cation radii, lattice energies and cation distribution
-
O'Neill, H.St.C. and Navrotsky, A. (1983) Simple spinels: crystallographic parameters, cation radii, lattice energies and cation distribution. American Mineralogist, 89, 181-194.
-
(1983)
American Mineralogist
, vol.89
, pp. 181-194
-
-
O'Neill, H.St.C.1
Navrotsky, A.2
-
17
-
-
33646638059
-
Pseudopotentials in condensed matter systems
-
Pickett, W.E. (1989) Pseudopotentials in condensed matter systems. Computational Physics Reports, 9, 115-197.
-
(1989)
Computational Physics Reports
, vol.9
, pp. 115-197
-
-
Pickett, W.E.1
-
20
-
-
33645426115
-
Efficient pseudopotentials for plane-wave calculations
-
Troullier, N. and Martins, J.L. (1991) Efficient pseudopotentials for plane-wave calculations. Physical Review B, 43, 1993-2003.
-
(1991)
Physical Review B
, vol.43
, pp. 1993-2003
-
-
Troullier, N.1
Martins, J.L.2
-
22
-
-
0001476067
-
Invariant molecular dynamics approach to structural phase transitions
-
Wentzcovitch, R.M. (1991) Invariant molecular dynamics approach to structural phase transitions. Physical Review B, 44, 2358-2361.
-
(1991)
Physical Review B
, vol.44
, pp. 2358-2361
-
-
Wentzcovitch, R.M.1
-
23
-
-
0006815721
-
High pressure studies of mantle minerals by ab initio variable cell shape molecular dynamics
-
B. Silvi and P. Darco, Eds. Kluwer, Dordrecht
-
Wentzcovitch, R.M. and Price, G.D. ( 1996) High pressure studies of mantle minerals by ab initio variable cell shape molecular dynamics. In B. Silvi and P. Darco, Eds., Molecular Engineering, p. 39-61. Kluwer, Dordrecht.
-
(1996)
Molecular Engineering
, pp. 39-61
-
-
Wentzcovitch, R.M.1
Price, G.D.2
-
24
-
-
0007187248
-
Crystal chemistry of forsterite: A first principle study
-
Wentzcovitch R.M. and Stixrude, L. ( 1997) Crystal chemistry of forsterite: a first principle study. American Mineralogist, 82, 663-671.
-
(1997)
American Mineralogist
, vol.82
, pp. 663-671
-
-
Wentzcovitch, R.M.1
Stixrude, L.2
-
26
-
-
11744254979
-
Phase transition in quartz near the amorphizalion transformation
-
Wentzcovitch, R.M., da Silva, C.R.S., Chelikowsky, J.R., and Binggeli, N. (1998) Phase transition in quartz near the amorphizalion transformation. Physical Review Letters, 80, 2149-2152.
-
(1998)
Physical Review Letters
, vol.80
, pp. 2149-2152
-
-
Wentzcovitch, R.M.1
Da Silva, C.R.S.2
Chelikowsky, J.R.3
Binggeli, N.4
|