-
1
-
-
35949008471
-
Spontaneous formation of stress domains on crystal surfaces
-
Alerhand, O. L., Vanderbilt, D., Meade, R. D., and Joannopoulos, J. D. (1988). " Spontaneous formation of stress domains on crystal surfaces.. " Phys. Rev. Lett., 61 (17), 1973-1976.
-
(1988)
Phys. Rev. Lett.
, vol.61
, Issue.17
, pp. 1973-1976
-
-
Alerhand, O.L.1
Vanderbilt, D.2
Meade, R.D.3
Joannopoulos, J.D.4
-
2
-
-
0001260033
-
Virial theorem in the density-functional formalism: Forces in H2
-
Averill, F. W., and Painter, G. S. (1981). " Virial theorem in the density-functional formalism: Forces in H2.. " Phys. Rev. B, 24 (12), 6795-6800.
-
(1981)
Phys. Rev. B
, vol.24
, Issue.12
, pp. 6795-6800
-
-
Averill, F.W.1
Painter, G.S.2
-
3
-
-
4043091416
-
Stress relief in reconstruction
-
Bach, C. E., Giesen, M., and Ibach, H. (1997). " Stress relief in reconstruction.. " Phys. Rev. Lett., 78 (22), 4225-4228.
-
(1997)
Phys. Rev. Lett.
, vol.78
, Issue.22
, pp. 4225-4228
-
-
Bach, C.E.1
Giesen, M.2
Ibach, H.3
-
4
-
-
0040235977
-
The role of single-particle density in chemistry
-
Bamzai, A. S., and Deb, B. M. (1981). " The role of single-particle density in chemistry.. " Rev. Mod. Phys., 53 (1), 95-126.
-
(1981)
Rev. Mod. Phys.
, vol.53
, Issue.1
, pp. 95-126
-
-
Bamzai, A.S.1
Deb, B.M.2
-
5
-
-
33645918109
-
Zur quantenmechanik (The quantum mechanics)
-
Born, M., Heisenberg, W., and Jordan, P. (1926). " Zur quantenmechanik (The quantum mechanics).. " Z. Phys., 35 (8-9), 557-615.
-
(1926)
Z. Phys.
, vol.35
, Issue.8-9
, pp. 557-615
-
-
Born, M.1
Heisenberg, W.2
Jordan, P.3
-
6
-
-
4243606192
-
Unified approach for molecular dynamics and density-functional theory
-
Car, R., and Parinello, M. (1985). " Unified approach for molecular dynamics and density-functional theory.. " Phys. Rev. Lett., 55 (22), 2471-2474.
-
(1985)
Phys. Rev. Lett.
, vol.55
, Issue.22
, pp. 2471-2474
-
-
Car, R.1
Parinello, M.2
-
7
-
-
0000476669
-
First-principles energy density and its applications to selected polar surfaces
-
Chetty, N., and Martin, R. M. (1992). " First-principles energy density and its applications to selected polar surfaces.. " Phys. Rev. B, 45 (11), 6074-6088.
-
(1992)
Phys. Rev. B
, vol.45
, Issue.11
, pp. 6074-6088
-
-
Chetty, N.1
Martin, R.M.2
-
8
-
-
0014653982
-
Proof of the uniqueness of the electromagnetic energy momentum tensor
-
Collinson, C. D. (1969). " Proof of the uniqueness of the electromagnetic energy momentum tensor.. " Proc. Cambridge Philos. Soc., 66 (2), 437-438.
-
(1969)
Proc. Cambridge Philos. Soc.
, vol.66
, Issue.2
, pp. 437-438
-
-
Collinson, C.D.1
-
9
-
-
0542382169
-
Density-functional theory of macroscopic stress: Gradient-corrected calculations for crystalline Se
-
Dal Corso, A., and Resta, R. (1994). " Density-functional theory of macroscopic stress: Gradient-corrected calculations for crystalline Se.. " Phys. Rev. B, 50 (7), 4327-4331.
-
(1994)
Phys. Rev. B
, vol.50
, Issue.7
, pp. 4327-4331
-
-
Dal Corso, A.1
Resta, R.2
-
11
-
-
34250930798
-
Bermerkung über die angenäherte gültigkeit der klassischen mechanik innerhalb der quantenmechanik
-
Ehrenfest, P. (1927). " Bermerkung über die angenäherte gültigkeit der klassischen mechanik innerhalb der quantenmechanik.. " Z. Phys., 45 (7-8), 455-457.
-
(1927)
Z. Phys.
, vol.45
, Issue.7-8
, pp. 455-457
-
-
Ehrenfest, P.1
-
12
-
-
0001348111
-
Calculation of surface stress in a linear combination of atomic orbitals representation
-
Feibelman, P. J. (1994). " Calculation of surface stress in a linear combination of atomic orbitals representation.. " Phys. Rev. B, 50 (3), 1908-1911.
-
(1994)
Phys. Rev. B
, vol.50
, Issue.3
, pp. 1908-1911
-
-
Feibelman, P.J.1
-
13
-
-
34547564932
-
Forces in molecules
-
Feynman, R. P. (1939a). " Forces in molecules.. " Phys. Rev., 56 (40), 340-343.
-
(1939)
Phys. Rev.
, vol.56
, pp. 340-343
-
-
Feynman, R.P.1
-
14
-
-
33845772733
-
-
Bachelor's dissertation, Massachusetts Institute of Technology, Cambridge, Mass.
-
Feynman, R. P. (1939b). " Forces and stresses in molecules.. " Bachelor's dissertation, Massachusetts Institute of Technology, Cambridge, Mass.
-
(1939)
Forces and Stresses in Molecules
-
-
Feynman, R.P.1
-
15
-
-
0001314743
-
Faceting and stress of missing-row reconstructed transition-metal (110) surfaces
-
Filippetti, A., and Fiorentini, V. (1999). " Faceting and stress of missing-row reconstructed transition-metal (110) surfaces.. " Phys. Rev. B, 60 (20), 14366-14371.
-
(1999)
Phys. Rev. B
, vol.60
, Issue.20
, pp. 14366-14371
-
-
Filippetti, A.1
Fiorentini, V.2
-
16
-
-
0000766267
-
Theory and applications of the stress density
-
Filippetti, A., and Fiorentini, V. (2000). " Theory and applications of the stress density.. " Phys. Rev. B, 61 (12), 8433-8442.
-
(2000)
Phys. Rev. B
, vol.61
, Issue.12
, pp. 8433-8442
-
-
Filippetti, A.1
Fiorentini, V.2
-
17
-
-
0001091696
-
Uber den virialsatz in der wellenmechanik
-
Finkelstein, B. (1928). " Uber den virialsatz in der wellenmechanik.. " Z. Phys., 50 (3-4), 293-294.
-
(1928)
Z. Phys.
, vol.50
, Issue.3-4
, pp. 293-294
-
-
Finkelstein, B.1
-
18
-
-
0000821899
-
Reconstruction mechanism of FCC transition metal (001) surfaces
-
Fiorentini, V., Methfessel, M., and Scheffler, M. (1993). " Reconstruction mechanism of FCC transition metal (001) surfaces.. " Phys. Rev. Lett., 71 (7), 1051-1054.
-
(1993)
Phys. Rev. Lett.
, vol.71
, Issue.7
, pp. 1051-1054
-
-
Fiorentini, V.1
Methfessel, M.2
Scheffler, M.3
-
19
-
-
25144451641
-
Bemerkung zum virialsatz
-
Fock, V. (1930). " Bemerkung zum virialsatz.. " Z. Phys., 63 (11-12), 855-858.
-
(1930)
Z. Phys.
, vol.63
, Issue.11-12
, pp. 855-858
-
-
Fock, V.1
-
20
-
-
84983942426
-
Dynamical derivation of microscopic stress tensors
-
Folland, N. O. (1981). " Dynamical derivation of microscopic stress tensors.. " Int. J. Quantum Chem., Quantum Chem. Symp., 15 (1), 369-379.
-
(1981)
Int. J. Quantum Chem., Quantum Chem. Symp.
, vol.15
, Issue.1
, pp. 369-379
-
-
Folland, N.O.1
-
21
-
-
0001044489
-
Microscopic stress tensors in atoms
-
Folland, N. O. (1986). " Microscopic stress tensors in atoms.. " Phys. Rev. B, 34 (12), 8296-8304.
-
(1986)
Phys. Rev. B
, vol.34
, Issue.12
, pp. 8296-8304
-
-
Folland, N.O.1
-
22
-
-
4243304042
-
Reply to Comment on microscopic stress tensors in quantum systems.'
-
Folland, N. O. (1988). " Reply to Comment on microscopic stress tensors in quantum systems.' " Phys. Rev. B, 37 (18), 10908-10911.
-
(1988)
Phys. Rev. B
, vol.37
, Issue.18
, pp. 10908-10911
-
-
Folland, N.O.1
-
23
-
-
0042407508
-
A quantum mechanical investigation of the cohesive forces of metallic copper
-
Fuchs, K. (1935). " A quantum mechanical investigation of the cohesive forces of metallic copper.. " Proc. R. Soc. London, Ser. A, 151 (874), 585-602.
-
(1935)
Proc. R. Soc. London, Ser. A
, vol.151
, Issue.874
, pp. 585-602
-
-
Fuchs, K.1
-
24
-
-
35949017831
-
Accurate exchange-correlation potential for silicon and its discontinuity on addition of an electron
-
Godby, R. W., Schutler, M., and Sham, L. J. (1986). " Accurate exchange-correlation potential for silicon and its discontinuity on addition of an electron.. " Phys. Rev. Lett., 56 (22), 2415-2418.
-
(1986)
Phys. Rev. Lett.
, vol.56
, Issue.22
, pp. 2415-2418
-
-
Godby, R.W.1
Schutler, M.2
Sham, L.J.3
-
25
-
-
33744688221
-
Quasiparticle energies in GaAs and AlAs
-
Godby, R. W., Schutler, M., and Sham, L. J. (1987). " Quasiparticle energies in GaAs and AlAs.. " Phys. Rev. B, 35 (8), 4170-4171.
-
(1987)
Phys. Rev. B
, vol.35
, Issue.8
, pp. 4170-4171
-
-
Godby, R.W.1
Schutler, M.2
Sham, L.J.3
-
26
-
-
0000087088
-
Stress field in quantum systems
-
Godfrey, M. J. (1988). " Stress field in quantum systems.. " Phys. Rev. B, 37 (17), 10176-10183.
-
(1988)
Phys. Rev. B
, vol.37
, Issue.17
, pp. 10176-10183
-
-
Godfrey, M.J.1
-
30
-
-
10644250257
-
Inhomogeneous electron gas
-
Hohenberg, P., and Kohn, W. (1964). " Inhomogeneous electron gas.. " Phys. Rev., 136 (3B), B864-B871.
-
(1964)
Phys. Rev.
, vol.136
, Issue.3 B
-
-
Hohenberg, P.1
Kohn, W.2
-
31
-
-
0023341939
-
On the self-energy of electrons in metals
-
Horsch, P., von der Linden, W., and Lukas, W. D. (1987). " On the self-energy of electrons in metals.. " Solid State Commun., 62 (5), 359-363.
-
(1987)
Solid State Commun.
, vol.62
, Issue.5
, pp. 359-363
-
-
Horsch, P.1
Von Der Linden, W.2
Lukas, W.D.3
-
32
-
-
25544479230
-
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
-
Hybertsen, M. S., and Louie, S. G. (1986). " Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies.. " Phys. Rev. B, 34 (8), 5390-5413.
-
(1986)
Phys. Rev. B
, vol.34
, Issue.8
, pp. 5390-5413
-
-
Hybertsen, M.S.1
Louie, S.G.2
-
33
-
-
33744681542
-
Ab initio static dielectric matrices from the density-functional approach. I: Formulation and application to semiconductors and insulators
-
Hybertsen, M. S., and Louie, S. G. (1987). " Ab initio static dielectric matrices from the density-functional approach. I: Formulation and application to semiconductors and insulators.. " Phys. Rev. B, 35 (11), 5585-5601.
-
(1987)
Phys. Rev. B
, vol.35
, Issue.11
, pp. 5585-5601
-
-
Hybertsen, M.S.1
Louie, S.G.2
-
34
-
-
0348215956
-
Neue berechnung der energie des heliums im grundzustande, sowie des tiefsten terms von ortho-helium
-
Hylleraas, E. (1929). " Neue berechnung der energie des heliums im grundzustande, sowie des tiefsten terms von ortho-helium.. " Z. Phys., 54 (5-6), 347-366.
-
(1929)
Z. Phys.
, vol.54
, Issue.5-6
, pp. 347-366
-
-
Hylleraas, E.1
-
35
-
-
0031341015
-
Role of surface stress in reconstruction, epitaxial growth, and stabilization of mesoscopic structures
-
Ibach, H. (1997). " Role of surface stress in reconstruction, epitaxial growth, and stabilization of mesoscopic structures.. " Surf. Sci. Rep., 29 (5-6), 193-263.
-
(1997)
Surf. Sci. Rep.
, vol.29
, Issue.5-6
, pp. 193-263
-
-
Ibach, H.1
-
37
-
-
51149210200
-
The density functional formalism, its applications, and prospects
-
Jones, R. O., and Gunnarsson, O. (1989). " The density functional formalism, its applications, and prospects.. " Rev. Mod. Phys., 61 (3), 689-746.
-
(1989)
Rev. Mod. Phys.
, vol.61
, Issue.3
, pp. 689-746
-
-
Jones, R.O.1
Gunnarsson, O.2
-
38
-
-
36749111143
-
On the uniqueness of the energy-momentum tensor for electromagnetism
-
Kerrighan, D. B. (1982). " On the uniqueness of the energy-momentum tensor for electromagnetism.. " J. Math. Phys., 23 (10), 1979-1980.
-
(1982)
J. Math. Phys.
, vol.23
, Issue.10
, pp. 1979-1980
-
-
Kerrighan, D.B.1
-
39
-
-
0042113153
-
Self-consistent equations including exchange and correlation effects
-
Kohn, W., and Sham, L. J. (1965). " Self-consistent equations including exchange and correlation effects.. " Phys. Rev., 140 (4), A1133-A1138.
-
(1965)
Phys. Rev.
, vol.140
, Issue.4
-
-
Kohn, W.1
Sham, L.J.2
-
40
-
-
0004097995
-
-
3rd Ed., Butterworth-Heinemann, Oxford.
-
Kosevich, A. M., Lifshitz, E. M., Landau, L. D., and Pitaevskii, L. P. (1986). Theory of elasticity, Vol. 7, 3rd Ed., Butterworth-Heinemann, Oxford.
-
(1986)
Theory of Elasticity
, vol.7
-
-
Kosevich, A.M.1
Lifshitz, E.M.2
Landau, L.D.3
Pitaevskii, L.P.4
-
41
-
-
0010051850
-
Exact expressions for the energy current and stress tensor operators in many-particle systems
-
Kugler, A. (1967). " Exact expressions for the energy current and stress tensor operators in many-particle systems.. " Z. Phys., 198 (3), 236-241.
-
(1967)
Z. Phys.
, vol.198
, Issue.3
, pp. 236-241
-
-
Kugler, A.1
-
42
-
-
0000035671
-
Self-energy corrections to the ab initio band structure: Chromium
-
Kulikov, N. I., Alouani, M., Khan, M. A., and Magnitskaya, M. V. (1987). " Self-energy corrections to the ab initio band structure: Chromium.. " Phys. Rev. B, 36 (2), 929-938.
-
(1987)
Phys. Rev. B
, vol.36
, Issue.2
, pp. 929-938
-
-
Kulikov, N.I.1
Alouani, M.2
Khan, M.A.3
Magnitskaya, M.V.4
-
43
-
-
0000138556
-
Simplification of total-energy and pressure calculations in solids
-
Liberman, D. A. (1974). " Simplification of total-energy and pressure calculations in solids.. " Phys. Rev. B, 9 (10), 3985-3988.
-
(1974)
Phys. Rev. B
, vol.9
, Issue.10
, pp. 3985-3988
-
-
Liberman, D.A.1
-
44
-
-
33744625022
-
The electromagnetic energy momentum tensor and its uniqueness
-
Lovelock, D. (1974). " The electromagnetic energy momentum tensor and its uniqueness.. " Int. J. Theor. Phys., 10 (1), 59-65.
-
(1974)
Int. J. Theor. Phys.
, vol.10
, Issue.1
, pp. 59-65
-
-
Lovelock, D.1
-
45
-
-
0043141866
-
Theory of many-particle systems. i
-
Martin, P. C., and Schwinger, J. (1959). " Theory of many-particle systems. I.. " Phys. Rev., 115 (6), 1342-1373.
-
(1959)
Phys. Rev.
, vol.115
, Issue.6
, pp. 1342-1373
-
-
Martin, P.C.1
Schwinger, J.2
-
46
-
-
11544320930
-
Effect of strain on the reactivity of metal surfaces
-
Mavrikakis, M., Hammer, B., and Norskov, J. K. (1998). " Effect of strain on the reactivity of metal surfaces.. " Phys. Rev. Lett., 81 (13), 2819-2822.
-
(1998)
Phys. Rev. Lett.
, vol.81
, Issue.13
, pp. 2819-2822
-
-
Mavrikakis, M.1
Hammer, B.2
Norskov, J.K.3
-
47
-
-
0041310841
-
Problem of the band gap in the density functional theory
-
Mazin, I. I., Maksimov, E. G., Savrasov, S. Y., and Uspenskii, Yu. A. (1984). " Problem of the band gap in the density functional theory.. " Sov. Phys. Solid State, 29 (9), 1516-1520.
-
(1984)
Sov. Phys. Solid State
, vol.29
, Issue.9
, pp. 1516-1520
-
-
Mazin, I.I.1
Maksimov, E.G.2
Savrasov, S.Y.3
Uspenskii, Yu.A.4
-
48
-
-
0042676787
-
Virial theorem generalized
-
McLellan, A. G. (1974). " Virial theorem generalized.. " Am. J. Phys., 42 (3), 239-243.
-
(1974)
Am. J. Phys.
, vol.42
, Issue.3
, pp. 239-243
-
-
McLellan, A.G.1
-
49
-
-
33845759888
-
An exact quantum statistical formulation of the elastic constants of a solid
-
McLellan, A. G. (1984). " An exact quantum statistical formulation of the elastic constants of a solid.. " J. Phys. C, 17 (1), 1-12.
-
(1984)
J. Phys. C
, vol.17
, Issue.1
, pp. 1-12
-
-
McLellan, A.G.1
-
50
-
-
25344472859
-
Origins of stress on elemental and chemisorbed semiconductor surfaces
-
Meade, R. D., and Vanderbilt, D. (1989). " Origins of stress on elemental and chemisorbed semiconductor surfaces.. " Phys. Rev. Lett., 63 (13), 1404-1407.
-
(1989)
Phys. Rev. Lett.
, vol.63
, Issue.13
, pp. 1404-1407
-
-
Meade, R.D.1
Vanderbilt, D.2
-
51
-
-
0000378140
-
AgCu (111) structure revisited through an extended mechanism for stress relaxation
-
Meunier, I., Tre'glia, G., Gay, J. M., and Aufray, B. (1999). " AgCu (111) structure revisited through an extended mechanism for stress relaxation.. " Phys. Rev. B, 59 (16), 10910-10917.
-
(1999)
Phys. Rev. B
, vol.59
, Issue.16
, pp. 10910-10917
-
-
Meunier, I.1
Tre'Glia, G.2
Gay, J.M.3
Aufray, B.4
-
52
-
-
0009853569
-
The pressure tensor in nonuniform fluids
-
Mitsura, L. (1985). " The pressure tensor in nonuniform fluids.. " J. Chem. Phys., 83 (7), 3633-3637.
-
(1985)
J. Chem. Phys.
, vol.83
, Issue.7
, pp. 3633-3637
-
-
Mitsura, L.1
-
53
-
-
0023347808
-
The definition of the pressure tensor in the statistical mechanics of nonuniform classical fluids
-
Mitsura, L. (1987). " The definition of the pressure tensor in the statistical mechanics of nonuniform classical fluids.. " Int. J. Thermophys., 8 (3), 397-403.
-
(1987)
Int. J. Thermophys.
, vol.8
, Issue.3
, pp. 397-403
-
-
Mitsura, L.1
-
54
-
-
0003582014
-
-
Pergamon, New York.
-
Moruzzi, V. L., Janak, J. F., and Williams, A. R. (1978). Calculated electronic properties of metals, Pergamon, New York.
-
(1978)
Calculated Electronic Properties of Metals
-
-
Moruzzi, V.L.1
Janak, J.F.2
Williams, A.R.3
-
55
-
-
0001254941
-
Structures of a Ag monolayer deposited on Cu(111), Cu(100), and Cu(110) substrates: An extended tight-binding quenched-molecular-dynamics study
-
Mottet, C., Tre'glia, G., and Legrand, B. (1992). " Structures of a Ag monolayer deposited on Cu(111), Cu(100), and Cu(110) substrates: An extended tight-binding quenched-molecular-dynamics study.. " Phys. Rev. B, 46 (24), 16018-16030.
-
(1992)
Phys. Rev. B
, vol.46
, Issue.24
, pp. 16018-16030
-
-
Mottet, C.1
Tre'Glia, G.2
Legrand, B.3
-
56
-
-
3843072491
-
Elastic stress domains and the herringbone reconstruction on Au(111)
-
Narasimham, S., and Vanderbilt, D. (1992). " Elastic stress domains and the herringbone reconstruction on Au(111).. " Phys. Rev. Lett., 69 (10), 1564-1567.
-
(1992)
Phys. Rev. Lett.
, vol.69
, Issue.10
, pp. 1564-1567
-
-
Narasimham, S.1
Vanderbilt, D.2
-
57
-
-
0001141123
-
The origin and possible implications of surface stress on metals
-
Needs, R. J., and Godfrey, M. J. (1987). " The origin and possible implications of surface stress on metals.. " Phys. Scr., T, T19B, 391-398.
-
(1987)
Phys. Scr., T
, vol.19
, pp. 391-398
-
-
Needs, R.J.1
Godfrey, M.J.2
-
58
-
-
0026103158
-
Theory of surface stress and surface reconstruction
-
Needs, R. J., Godfrey, M. J., and Mansfield, M. (1991). " Theory of surface stress and surface reconstruction.. " Surf. Sci., 242 (1-3), 215-221.
-
(1991)
Surf. Sci.
, vol.242
, Issue.1-3
, pp. 215-221
-
-
Needs, R.J.1
Godfrey, M.J.2
Mansfield, M.3
-
59
-
-
34547557466
-
First-principles calculation of stress
-
Nielsen, O. H., and Martin, R. M. (1983). " First-principles calculation of stress.. " Phys. Rev. Lett., 50 (9), 697-700.
-
(1983)
Phys. Rev. Lett.
, vol.50
, Issue.9
, pp. 697-700
-
-
Nielsen, O.H.1
Martin, R.M.2
-
60
-
-
24844452621
-
Quantum-mechanical theory of stress and force
-
Nielsen, O. H., and Martin, R. M. (1985a). " Quantum-mechanical theory of stress and force.. " Phys. Rev. B, 32 (6), 3780-3791.
-
(1985)
Phys. Rev. B
, vol.32
, Issue.6
, pp. 3780-3791
-
-
Nielsen, O.H.1
Martin, R.M.2
-
61
-
-
18844381148
-
Stresses in semiconductors: Ab initio calculations on Si, Ge, and GaAs
-
Nielsen, O. H., and Martin, R. M. (1985b). " Stresses in semiconductors: Ab initio calculations on Si, Ge, and GaAs.. " Phys. Rev. B, 32 (6), 3792-3805.
-
(1985)
Phys. Rev. B
, vol.32
, Issue.6
, pp. 3792-3805
-
-
Nielsen, O.H.1
Martin, R.M.2
-
62
-
-
4243535570
-
Comment on Microscopic stress tensors in quantum systems.'
-
Nielsen, O. H., and Martin, R. M. (1988). " Comment on Microscopic stress tensors in quantum systems.' " Phys. Rev. B, 37 (18), 10905-10907.
-
(1988)
Phys. Rev. B
, vol.37
, Issue.18
, pp. 10905-10907
-
-
Nielsen, O.H.1
Martin, R.M.2
-
65
-
-
0001726650
-
Variable-curvature-slab molecular dynamics as a method to determine surface stress
-
Passerone, D., Tosatti, E., Chiarotti, G. L., and Ercolessi, F. (1999). " Variable-curvature-slab molecular dynamics as a method to determine surface stress.. " Phys. Rev. B, 59 (11), 7687-7696.
-
(1999)
Phys. Rev. B
, vol.59
, Issue.11
, pp. 7687-7696
-
-
Passerone, D.1
Tosatti, E.2
Chiarotti, G.L.3
Ercolessi, F.4
-
66
-
-
0002301173
-
-
Springer, Berlin
-
Pauli, W. (1958). Handbuch der physik, Band XXIV, Teil 1, Vol. V, Part, Springer, Berlin, 83-272.
-
(1958)
Handbuch der Physik, Band XXIV, Teil 1
, vol.5
, pp. 83-272
-
-
Pauli, W.1
-
67
-
-
11944256577
-
Iterative minimization techniques for ab initio total-energy calculations: Molecular dynamics and conjugate gradients
-
Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. A., and Joannopoulos, J. D. (1992). " Iterative minimization techniques for ab initio total-energy calculations: Molecular dynamics and conjugate gradients.. " Rev. Mod. Phys., 64 (4), 1045-1097.
-
(1992)
Rev. Mod. Phys.
, vol.64
, Issue.4
, pp. 1045-1097
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
68
-
-
0037100746
-
Stress, virial, and pressure in the theory of atoms in molecules
-
Pendas, A. M. (2002). " Stress, virial, and pressure in the theory of atoms in molecules.. " J. Chem. Phys., 117 (3), 965-979.
-
(2002)
J. Chem. Phys.
, vol.117
, Issue.3
, pp. 965-979
-
-
Pendas, A.M.1
-
69
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew, J. P., Burke, K., and Ernzerhof, M. (1996). " Generalized gradient approximation made simple.. " Phys. Rev. Lett., 77 (18), 3865-3868.
-
(1996)
Phys. Rev. Lett.
, vol.77
, Issue.18
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
70
-
-
18144378706
-
Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation
-
Perdew, J. P., and Wang, Y. (1986). " Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation.. " Phys. Rev. B, 33 (12), 8800-8802.
-
(1986)
Phys. Rev. B
, vol.33
, Issue.12
, pp. 8800-8802
-
-
Perdew, J.P.1
Wang, Y.2
-
71
-
-
0000823285
-
Individual orbital contributions to the SCF virial in homonuclear diatomic molecules
-
Pettifor, D. G. (1976a). " Individual orbital contributions to the SCF virial in homonuclear diatomic molecules.. " J. Chem. Phys., 69 (6), 2930-2931.
-
(1976)
J. Chem. Phys.
, vol.69
, Issue.6
, pp. 2930-2931
-
-
Pettifor, D.G.1
-
72
-
-
0001756893
-
Pressure-cell boundary relation and application to transition-metal equation of state
-
Pettifor, D. G. (1976b). " Pressure-cell boundary relation and application to transition-metal equation of state.. " Commun. Phys. (London), 1 (5), 141-146.
-
(1976)
Commun. Phys. (London)
, vol.1
, Issue.5
, pp. 141-146
-
-
Pettifor, D.G.1
-
73
-
-
2542566203
-
Theoretical examination of stress fields in Pb (Zr0.5 Ti0.5) O3
-
Ramer, N. J., Mele, E. J., and Rappe, A. M. (1998). " Theoretical examination of stress fields in Pb (Zr0.5 Ti0.5) O3.. " Ferroelectrics, 206-207 (1-4), 31-46.
-
(1998)
Ferroelectrics
, vol.206-207
, Issue.1-4
, pp. 31-46
-
-
Ramer, N.J.1
Mele, E.J.2
Rappe, A.M.3
-
74
-
-
0036612535
-
Geometric formulation of quantum stress fields
-
Rogers, C. L., and Rappe, A. M. (2002). " Geometric formulation of quantum stress fields.. " Phys. Rev. B, 65 (22), 224117-224124.
-
(2002)
Phys. Rev. B
, vol.65
, Issue.22
, pp. 224117-224124
-
-
Rogers, C.L.1
Rappe, A.M.2
-
75
-
-
0005529420
-
Pressure calculations and the virial theorem for modified Hartree-Fock solids and atoms
-
Ross, M. (1969). " Pressure calculations and the virial theorem for modified Hartree-Fock solids and atoms.. " Phys. Rev., 179 (3), 612-615.
-
(1969)
Phys. Rev.
, vol.179
, Issue.3
, pp. 612-615
-
-
Ross, M.1
-
76
-
-
84980105804
-
Der energieimpulssatz der materiewellen
-
Schrödinger, E. (1927). " Der energieimpulssatz der materiewellen.. " Ann. Phys., 387 (2), 265-272.
-
(1927)
Ann. Phys.
, vol.387
, Issue.2
, pp. 265-272
-
-
Schrödinger, E.1
-
77
-
-
36049056904
-
One-particle properties of an inhomogeneous interacting electron gas
-
Sham, L. J., and Kohn, W. (1966). " One-particle properties of an inhomogeneous interacting electron gas.. " Phys. Rev., 145 (2), B561-567.
-
(1966)
Phys. Rev.
, vol.145
, Issue.2
, pp. 561-567
-
-
Sham, L.J.1
Kohn, W.2
-
78
-
-
36849127038
-
The virial and molecular structure
-
Slater, J. C. (1933). " The virial and molecular structure.. " J. Chem. Phys., 1 (10), 687-691.
-
(1933)
J. Chem. Phys.
, vol.1
, Issue.10
, pp. 687-691
-
-
Slater, J.C.1
-
83
-
-
23644452342
-
Theory of static structural properties, crystal stability, and phase transformations: Application to Si and Ge
-
Yin, M. T., and Cohen, M. L. (1982). " Theory of static structural properties, crystal stability, and phase transformations: Application to Si and Ge.. " Phys. Rev. B, 26 (10), 5668-5687.
-
(1982)
Phys. Rev. B
, vol.26
, Issue.10
, pp. 5668-5687
-
-
Yin, M.T.1
Cohen, M.L.2
-
84
-
-
0001049280
-
Stress, virial, and pressure in the theory of atoms in molecules
-
Ziesche, P., Grafenstein, J., and Nielsen, O. H. (1988). " Stress, virial, and pressure in the theory of atoms in molecules.. " Phys. Rev. B, 37 (14), 8167-8178.
-
(1988)
Phys. Rev. B
, vol.37
, Issue.14
, pp. 8167-8178
-
-
Ziesche, P.1
Grafenstein, J.2
Nielsen, O.H.3
-
85
-
-
84983884343
-
Local virial-relations and pressure
-
Ziesche, P., and Lehmann, D. (1987). " Local virial-relations and pressure.. " Phys. Status Solidi B, 139 (2), 467-483.
-
(1987)
Phys. Status Solidi B
, vol.139
, Issue.2
, pp. 467-483
-
-
Ziesche, P.1
Lehmann, D.2
|