Exact-exchange crystal Hartree--Fock calculations of molecular and metallic hydrogen and their transitions
作者： David E. Ramaker , Lalit Kumar , Frank E. Harris
DOI: 10.1103/PHYSREVLETT.34.812
关键词: Crystal 、 Hartree–Fock method 、 Electronic band structure 、 Atomic physics 、 Metallic hydrogen 、 Pressure dependence 、 Materials science
摘要:
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sci-hub.se 参考文章(11)
G.A Neece, F.J Rogers, W.G Hoover, Thermodynamic Properties of Compressed Solid Hydrogen Journal of Computational Physics. ,vol. 7, pp. 621- 636 ,(1971) , 10.1016/0021-9991(71)90117-3
E. Wigner, H. B. Huntington, On the Possibility of a Metallic Modification of Hydrogen The Journal of Chemical Physics. ,vol. 3, pp. 764- 770 ,(1935) , 10.1063/1.1749590
E. �stgaard, Solid hydrogen. Ground-state energy, pressure, compressibility and phase transition at high densities European Physical Journal. ,vol. 252, pp. 95- 106 ,(1972) , 10.1007/BF01391808
E. �stgaard, Solid hydrogen: Ground-state energy, pressure, and compressibility Journal of Low Temperature Physics. ,vol. 8, pp. 479- 498 ,(1972) , 10.1007/BF00653875
A. K. McMahan, H. Beck, J. A. Krumhansl, Short-range interaction between hydrogen molecules Physical Review A. ,vol. 9, pp. 1852- 1864 ,(1974) , 10.1103/PHYSREVA.9.1852
Frank E. Harris, Hendrik J. Monkhorst, Complete Calculations of the Electronic Energies of Solids Physical Review Letters. ,vol. 23, pp. 1026- 1030 ,(1969) , 10.1103/PHYSREVLETT.23.1026
Frank E. Harris, Lalit Kumar, Hendrik J. Monkhorst, Electronic-Structure Studies of Solids. II. "Exact" Hartree-Fock Calculations for Cubic Atomic-Hydrogen Crystals Physical Review B. ,vol. 7, pp. 2850- 2866 ,(1973) , 10.1103/PHYSREVB.7.2850
Lalit Kumar, Hendrik J. Monkhorst, Frank E. Harris, Electronic-structure studies of solids. III. Hartree-Fock band functions and energies for cubic lithium crystals Physical Review B. ,vol. 9, pp. 4084- 4095 ,(1974) , 10.1103/PHYSREVB.9.4084
J. Hammerberg, N. W. Ashcroft, Ground-state energies of simple metals Physical Review B. ,vol. 9, pp. 409- 424 ,(1974) , 10.1103/PHYSREVB.9.409
N. W. Ashcroft, METALLIC HYDROGEN: A HIGH-TEMPERATURE SUPERCONDUCTOR. Physical Review Letters. ,vol. 21, pp. 1748- 1749 ,(1968) , 10.1103/PHYSREVLETT.21.1748