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1.
Electrical conductivities for hot, dense hydrogen.
Kwon I; Collins L; Kress J; Troullier N.
Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics ; 54(3): 2844-2851, 1996 Sep.
Article in English | MEDLINE | ID: mdl-9965401
2.
First-principles study of the H-induced reconstruction of W(110).
Kwak KW; Chou MY; Troullier N.
Phys Rev B Condens Matter ; 53(20): 13734-13739, 1996 May 15.
Article in English | MEDLINE | ID: mdl-9983125
3.
Quantum molecular dynamics simulations of hot, dense hydrogen.
Collins L; Kwon I; Kress J; Troullier N; Lynch D.
Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics ; 52(6): 6202-6219, 1995 Dec.
Article in English | MEDLINE | ID: mdl-9964137
4.
First-principles study of solid Ar and Kr under high compression.
Kwon I; Collins LA; Kress JD; Troullier N.
Phys Rev B Condens Matter ; 52(21): 15165-15169, 1995 Dec 01.
Article in English | MEDLINE | ID: mdl-9980870
5.
Simulations of liquid semiconductors using quantum forces.
Godlevsky V; Chelikowsky JR; Troullier N.
Phys Rev B Condens Matter ; 52(18): 13281-13286, 1995 Nov 01.
Article in English | MEDLINE | ID: mdl-9980519
6.
Higher-order finite-difference pseudopotential method: An application to diatomic molecules.
Chelikowsky JR; Troullier N; Wu K; Saad Y.
Phys Rev B Condens Matter ; 50(16): 11355-11364, 1994 Oct 15.
Article in English | MEDLINE | ID: mdl-9975266
7.
Ab initio molecular-dynamics simulations of Si clusters using the higher-order finite-difference-pseudopotential method.
Jing X; Troullier N; Dean D; Binggeli N; Chelikowsky JR; Wu K; Saad Y.
Phys Rev B Condens Matter ; 50(16): 12234-12237, 1994 Oct 15.
Article in English | MEDLINE | ID: mdl-9975378
8.
Molecular dynamics simulations of hot, dense hydrogen.
Kwon I; Collins LA; Kress JD; Troullier N; Lynch DL.
Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics ; 49(6): R4771-R4774, 1994 Jun.
Article in English | MEDLINE | ID: mdl-9961932
9.
Finite-difference-pseudopotential method: Electronic structure calculations without a basis.
Chelikowsky JR; Troullier N; Saad Y.
Phys Rev Lett ; 72(8): 1240-1243, 1994 Feb 21.
Article in English | MEDLINE | ID: mdl-10056658
10.
First-principles simulation of liquid silicon using Langevin dynamics with quantum interatomic forces.
Chelikowsky JR; Troullier N; Binggeli N.
Phys Rev B Condens Matter ; 49(1): 114-119, 1994 Jan 01.
Article in English | MEDLINE | ID: mdl-10009266
11.
Nonmagnetic-semimagnetic semiconductor heterostructures: Ge-Cd1-xMnxTe(110).
Yu X; Raisanen A; Haugstad G; Troullier N; Biasiol G; Franciosi A.
Phys Rev B Condens Matter ; 48(7): 4545-4551, 1993 Aug 15.
Article in English | MEDLINE | ID: mdl-10008933
12.
Structural and electronic properties of C60.
Troullier N; Martins JL.
Phys Rev B Condens Matter ; 46(3): 1754-1765, 1992 Jul 15.
Article in English | MEDLINE | ID: mdl-10003824
13.
Structural and electronic properties of KnC60.
Martins JL; Troullier N.
Phys Rev B Condens Matter ; 46(3): 1766-1772, 1992 Jul 15.
Article in English | MEDLINE | ID: mdl-10003825
14.
Electronic properties of alpha -quartz under pressure.
Binggeli N; Troullier N; Martins JL; Chelikowsky JR.
Phys Rev B Condens Matter ; 44(10): 4771-4777, 1991 Sep 01.
Article in English | MEDLINE | ID: mdl-9998284
15.
Structural properties of SiO2 in the stishovite structure.
Keskar NR; Troullier N; Martins JL; Chelikowsky JR.
Phys Rev B Condens Matter ; 44(9): 4081-4088, 1991 Sep 01.
Article in English | MEDLINE | ID: mdl-10000052
16.
Pressure dependence of the structural properties of alpha -quartz near the amorphous transition.
Chelikowsky JR; Troullier N; Martins JL; King HE.
Phys Rev B Condens Matter ; 44(2): 489-497, 1991 Jul 01.
Article in English | MEDLINE | ID: mdl-9999149
17.
Electronic states of solid C60: Symmetries and photoionization cross sections.
Benning PJ; Poirier DM; Troullier N; Martins JL; Weaver JH; Haufler RE; Chibante LP; Smalley RE.
Phys Rev B Condens Matter ; 44(4): 1962-1965, 1991 Jul 15.
Article in English | MEDLINE | ID: mdl-9999744
18.
Band dispersion and empty electronic states in solid C60: Inverse photoemission and theory.
Jost MB; Troullier N; Poirier DM; Martins JL; Weaver JH; Chibante LP; Smalley RE.
Phys Rev B Condens Matter ; 44(4): 1966-1969, 1991 Jul 15.
Article in English | MEDLINE | ID: mdl-9999745
19.
Efficient pseudopotentials for plane-wave calculations. II. Operators for fast iterative diagonalization.
Troullier N; Martins JL.
Phys Rev B Condens Matter ; 43(11): 8861-8869, 1991 Apr 15.
Article in English | MEDLINE | ID: mdl-9996554
20.
Electronic structure of solid C60: Experiment and theory.
Weaver JH; Martins JL; Komeda T; Chen Y; Ohno TR; Kroll GH; Troullier N; Haufler RE; Smalley RE.
Phys Rev Lett ; 66(13): 1741-1744, 1991 Apr 01.
Article in English | MEDLINE | ID: mdl-10043295
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