<i>Ab initio</i>molecular dynamics for liquid metals

American Physical Society (APS) - Tập 47 Số 1 - Trang 558-561
Georg Kresse1, J. Häfner1
1Institut für Theoretische Physik, Technische Universität Wien, Wiedner Haupstrasse, 8-10, A-1040 Wien, Austria

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Tài liệu tham khảo

R. Car, 1985, Phys. Rev. Lett., 55, 2471, 10.1103/PhysRevLett.55.2471

W. Kohn, 1965, Phys. Rev. A, 140, 1133, 10.1103/PhysRev.140.A1133

G. Pastore, 1991, Phys. Rev. A, 44, 6334, 10.1103/PhysRevA.44.6334

I. Stich, 1991, Phys. Rev. B, 44, 4262, 10.1103/PhysRevB.44.4262

P.E. Blöchl, 1992, Phys. Rev. B, 45, 9413, 10.1103/PhysRevB.45.9413

M.P. Teter, 1989, Phys. Rev. B, 40, 12255, 10.1103/PhysRevB.40.12255

R.D. King Smith, 1991, Phys. Rev. B, 44, 13063, 10.1103/PhysRevB.44.13063

T.A. Arias, 1992, Phys. Rev. B, 45, 1538, 10.1103/PhysRevB.45.1538

M. Bylander, 1990, Phys. Rev. B, 42, 1394, 10.1103/PhysRevB.42.1394

M. Bylander, 1992, Phys. Rev. B, 45, 9663, 10.1103/PhysRevB.45.9663

M. Weinert, 1992, Phys. Rev. B, 45, 13709, 10.1103/PhysRevB.45.13709

R.M. Wentzcovitch, 1992, Phys. Rev. B, 45, 11372, 10.1103/PhysRevB.45.11372

G.P. Kerker, 1981, Phys. Rev. B, 23, 3082, 10.1103/PhysRevB.23.3082

S. Nosé, 1984, J. Chem. Phys., 81, 511, 10.1063/1.447334

C.W. Gear, 1971, Numerical Initial Value Problem in Ordinary Differential Equations

A. Arnold, 1989, J. Phys. Condens. Matter, 1, 965, 10.1088/0953-8984/1/5/013

D. Vanderbilt, 1985, Phys. Rev. B, 32, 8412, 10.1103/PhysRevB.32.8412

Y. Waseda, 1981, The Structure of Non Crystalline Materials Liquids and Amorphous Solids

S.J. Larsson, 1972, Phys. Chem. Liq., 3, 137, 10.1080/00319107208084094

G. Kresse, 1992, J. Phys. Condens. Matter, 4, 7451, 10.1088/0953-8984/4/36/018

W. Jank, 1988, Europhys. Lett., 7, 623, 10.1209/0295-5075/7/7/009

G. Indlekofer, 1988, Z. Phys. Chem, 157, 465, 10.1524/zpch.1988.157.Part_2.465

W. Jank, 1990, Phys. Rev. B, 41, 1497, 10.1103/PhysRevB.41.1497