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1.
Quantum Monte Carlo Calculations of the Energy of the Relativistic Homogeneous Electron Gas.
Kenny SD; Rajagopal G; Needs RJ; Leung W; Godfrey MJ; Williamson AJ; Foulkes WM.
Phys Rev Lett ; 77(6): 1099-1102, 1996 Aug 05.
Artigo em Inglês | MEDLINE | ID: mdl-10062990
2.
Optimized wave functions for quantum Monte Carlo studies of atoms and solids.
Williamson AJ; Kenny SD; Rajagopal G; James AJ; Needs RJ; Fraser LM; Foulkes WM; Maccullum P.
Phys Rev B Condens Matter ; 53(15): 9640-9648, 1996 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-9982519
3.
Dynamics of sandpiles: Physical mechanisms, coupled stochastic equations, and alternative universality classes.
Mehta A; Luck JM; Needs RJ.
Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics ; 53(1): 92-102, 1996 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-9964238
4.
Finite-size effects and Coulomb interactions in quantum Monte Carlo calculations for homogeneous systems with periodic boundary conditions.
Fraser LM; Foulkes WM; Rajagopal G; Needs RJ; Kenny SD; Williamson AJ.
Phys Rev B Condens Matter ; 53(4): 1814-1832, 1996 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-9983641
5.
Charge-transfer excitations in the cuprate superconductors.
Dadachanji Z; Godby RW; Needs RJ; Littlewood PB.
Phys Rev B Condens Matter ; 52(22): 16204-16207, 1995 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-9981005
6.
First-principles pseudopotential study of the phase stability of the III-V semiconductors GaAs and AlAs.
Mujica A; Needs RJ; Muñoz A.
Phys Rev B Condens Matter ; 52(12): 8881-8892, 1995 Sep 15.
Artigo em Inglês | MEDLINE | ID: mdl-9979878
7.
Spin-orbit interaction, triplet lifetime, and fine-structure splitting of excitons in highly porous silicon.
Nash KJ; Calcott PD; Canham LT; Needs RJ.
Phys Rev B Condens Matter ; 51(24): 17698-17707, 1995 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-9978801
8.
First-principles pseudopotential study of the structural phases of silicon.
Needs RJ; Mujica A.
Phys Rev B Condens Matter ; 51(15): 9652-9660, 1995 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-9977630
9.
Variational and diffusion quantum Monte Carlo calculations at nonzero wave vectors: Theory and application to diamond-structure germanium.
Rajagopal G; Needs RJ; James A; Kenny SD; Foulkes WM.
Phys Rev B Condens Matter ; 51(16): 10591-10600, 1995 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-9977754
10.
Comment on "Metal-ceramic adhesion and the Harris functional"
Finnis MW; Needs RJ; Schönberger U.
Phys Rev Lett ; 74(15): 3083, 1995 Apr 10.
Artigo em Inglês | MEDLINE | ID: mdl-10058100
11.
Relativistic corrections to atomic energies from quantum Monte Carlo calculations.
Kenny SD; Rajagopal G; Needs RJ.
Phys Rev A ; 51(3): 1898-1904, 1995 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-9911799
12.
Space-time method for ab initio calculations of self-energies and dielectric response functions of solids.
Rojas HN; Godby RW; Needs RJ.
Phys Rev Lett ; 74(10): 1827-1830, 1995 Mar 06.
Artigo em Inglês | MEDLINE | ID: mdl-10057767
13.
GW self-energy calculations of carrier-induced band-gap narrowing in n-type silicon.
Oschlies A; Godby RW; Needs RJ.
Phys Rev B Condens Matter ; 51(3): 1527-1535, 1995 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-9978867
14.
First-principles calculations of band-edge electronic states of silicon quantum wires.
Needs RJ; Bhattacharjee S; Nash KJ; Qteish A; Read AJ; Canham LT.
Phys Rev B Condens Matter ; 50(19): 14223-14227, 1994 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-9975643
15.
Quantum Monte Carlo calculations for solids using special k points methods.
Rajagopal G; Needs RJ; Kenny S; Foulkes WM; James A.
Phys Rev Lett ; 73(14): 1959-1962, 1994 Oct 03.
Artigo em Inglês | MEDLINE | ID: mdl-10056932
16.
Ab initio calculations of the dynamic response of beryllium.
Maddocks NE; Godby RW; Needs RJ.
Phys Rev B Condens Matter ; 49(12): 8502-8505, 1994 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-10009624
17.
First-principles calculations of the structural properties, stability, and band structure of complex tetrahedral phases of germanium: ST12 and BC8.
Mujica A; Needs RJ.
Phys Rev B Condens Matter ; 48(23): 17010-17017, 1993 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-10008302
18.
Imaging atoms in the field-ion microscope: Tunneling calculations using realistic potentials.
Lam SC; Needs RJ.
Phys Rev B Condens Matter ; 48(19): 14698-14701, 1993 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-10007902
19.
Comment on "Should all surfaces be reconstructed?"
Needs RJ.
Phys Rev Lett ; 71(3): 460, 1993 Jul 19.
Artigo em Inglês | MEDLINE | ID: mdl-10055276
20.
Free energy and entropy of diffusion by ab initio molecular dynamics: Alkali ions in silicon.
Milman V; Payne MC; Heine V; Needs RJ; Lin JS; Lee MH.
Phys Rev Lett ; 70(19): 2928-2931, 1993 May 10.
Artigo em Inglês | MEDLINE | ID: mdl-10053689
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