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1. Bacalis, NC; Papaconstantopoulos, DA; Mehl, MJ; Lach-Hab, M
   Transferable tight-binding parameters for ferromagnetic and paramagnetic iron
   PHYSICA B
   
   N.C. Bacalis et al., "Transferable tight-binding parameters for ferromagnetic and paramagnetic iron", PHYSICA B, 296(1-3), 2001, pp. 125-128
2. Papaconstantopoulos, DA; Lach-Hab, M; Mehl, MJ
   Tight-binding Hamiltonians for realistic electronic structure calculations
   PHYSICA B
   
   D.A. Papaconstantopoulos et al., "Tight-binding Hamiltonians for realistic electronic structure calculations", PHYSICA B, 296(1-3), 2001, pp. 129-137
3. Papaconstantopoulos, DA; Mehl, MJ
   Precise tight-binding description of the band structure of MgB2 - art. no.172510
   PHYSICAL REVIEW B
   
   D.A. Papaconstantopoulos e M.J. Mehl, "Precise tight-binding description of the band structure of MgB2 - art. no.172510", PHYS REV B, 6417(17), 2001, pp. 2510
4. Mehl, MJ; Papaconstantopoulos, DA; Singh, DJ
   Effects of C, Cu, and Be substitutions in superconducting MgB2 - art. no. 140509
   PHYSICAL REVIEW B
   
   M.J. Mehl et al., "Effects of C, Cu, and Be substitutions in superconducting MgB2 - art. no. 140509", PHYS REV B, 6414(14), 2001, pp. 0509
5. Mishin, Y; Mehl, MJ; Papaconstantopoulos, DA; Voter, AF; Kress, JD
   Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations - art. no. 224106
   PHYSICAL REVIEW B
   
   Y. Mishin et al., "Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations - art. no. 224106", PHYS REV B, 6322(22), 2001, pp. 4106
6. Kirchhoff, F; Mehl, MJ; Papanicolaou, NI; Papaconstantopoulos, DA; Khan, FS
   Dynamical properties of Au from tight-binding molecular-dynamics simulations - art. no. 195101
   PHYSICAL REVIEW B
   
   F. Kirchhoff et al., "Dynamical properties of Au from tight-binding molecular-dynamics simulations - art. no. 195101", PHYS REV B, 6319(19), 2001, pp. 5101
7. Lekka, CE; Papanicolaou, NI; Evangelakis, GA; Papaconstantopoulos, DA
   Transferability of Slater-Koster parameters
   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
   
   C.E. Lekka et al., "Transferability of Slater-Koster parameters", J PHYS CH S, 62(4), 2001, pp. 753-760
8. Mehl, MJ; Papaconstantopoulos, DA; Mazin, II; Bacalis, NC; Pickett, WE
   Applications of the NRL tight-binding method to magnetic systems
   JOURNAL OF APPLIED PHYSICS
   
   M.J. Mehl et al., "Applications of the NRL tight-binding method to magnetic systems", J APPL PHYS, 89(11), 2001, pp. 6880-6882
9. Papaconstantopoulos, DA; Mazin, II; Hathaway, KB
   Stabilization of itinerant (band) magnetism in FeAl by Ga substitution forAl
   JOURNAL OF APPLIED PHYSICS
   
   D.A. Papaconstantopoulos et al., "Stabilization of itinerant (band) magnetism in FeAl by Ga substitution forAl", J APPL PHYS, 89(11), 2001, pp. 6889-6891
10. Mazin, II; Papaconstantopoulos, DA; Singh, DJ
    Tight-binding Hamiltonians for Sr-filled ruthenates: Application to the gap anisotropy and Hall coefficient in Sr2RuO4
    PHYSICAL REVIEW B
    
    I.I. Mazin et al., "Tight-binding Hamiltonians for Sr-filled ruthenates: Application to the gap anisotropy and Hall coefficient in Sr2RuO4", PHYS REV B, 61(8), 2000, pp. 5223-5228
11. Mehl, MJ; Papaconstantopoulos, DA; Kioussis, N; Herbranson, M
    Tight-binding study of stacking fault energies and the Rice criterion of ductility in the fcc metals
    PHYSICAL REVIEW B
    
    M.J. Mehl et al., "Tight-binding study of stacking fault energies and the Rice criterion of ductility in the fcc metals", PHYS REV B, 61(7), 2000, pp. 4894-4897
12. Papanicolaou, NI; Kallinteris, GC; Evangelakis, GA; Papaconstantopoulos, DA
    Second-moment interatomic potential for aluminum derived from total-energycalculations and molecular dynamics application
    COMPUTATIONAL MATERIALS SCIENCE
    
    N.I. Papanicolaou et al., "Second-moment interatomic potential for aluminum derived from total-energycalculations and molecular dynamics application", COMP MAT SC, 17(2-4), 2000, pp. 224-229
13. Bernstein, N; Mehl, MJ; Papaconstantopoulos, DA; Papanicolaou, NI; Bazant, MZ; Kaxiras, E
    Energetic, vibrational, and electronic properties of silicon using a nonorthogonal tight-binding model
    PHYSICAL REVIEW B
    
    N. Bernstein et al., "Energetic, vibrational, and electronic properties of silicon using a nonorthogonal tight-binding model", PHYS REV B, 62(7), 2000, pp. 4477-4487
14. Lach-hab, M; Keegan, M; Papaconstantopoulos, DA; Mehl, MJ
    Electronic structure calculations of PbTe
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
    
    M. Lach-hab et al., "Electronic structure calculations of PbTe", J PHYS CH S, 61(10), 2000, pp. 1639-1645
15. Ardelean, H; Belin-Ferre, E; Senemaud, C; Papaconstantopoulos, DA
    Calculation of the densities of states of a-Si1-yCy(: H) alloys and comparison with measured X-ray spectra
    JOURNAL OF NON-CRYSTALLINE SOLIDS
    
    H. Ardelean et al., "Calculation of the densities of states of a-Si1-yCy(: H) alloys and comparison with measured X-ray spectra", J NON-CRYST, 261(1-3), 2000, pp. 218-225
16. Papaconstantopoulos, DA; Hathaway, KB
    Predictions of magnetism in transition metal aluminides
    JOURNAL OF APPLIED PHYSICS
    
    D.A. Papaconstantopoulos e K.B. Hathaway, "Predictions of magnetism in transition metal aluminides", J APPL PHYS, 87(9), 2000, pp. 5872-5874
17. Fournee, V; Mazin, I; Papaconstantopoulos, DA; Belin-Ferre, E
    Electronic structure calculations of Al-Cu alloys: comparison with experimental results on Hume-Rothery phases
    PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICSELECTRONIC OPTICAL AND MAGNETIC PROPERTIES
    
    V. Fournee et al., "Electronic structure calculations of Al-Cu alloys: comparison with experimental results on Hume-Rothery phases", PHIL MAG B, 79(2), 1999, pp. 205-221
18. Canto, G; de Coss, R; Papaconstantopoulos, DA
    Electronic local density of states for the TiNi(001) surface
    SURFACE REVIEW AND LETTERS
    
    G. Canto et al., "Electronic local density of states for the TiNi(001) surface", SURF REV L, 6(5), 1999, pp. 719-723
19. Jimenez, VM; Lassaletta, G; Fernandez, A; Espinos, JP; Yubero, F; Gonzalez-Elipe, AR; Soriano, L; Sanz, JM; Papaconstantopoulos, DA
    Resonant photoemission characterization of SnO
    PHYSICAL REVIEW B-CONDENSED MATTER
    
    V.M. Jimenez et al., "Resonant photoemission characterization of SnO", PHYS REV B, 60(15), 1999, pp. 11171-11179
20. Mishin, Y; Farkas, D; Mehl, MJ; Papaconstantopoulos, DA
    Interatomic potentials for monoatomic metals from experimental data and abinitio calculations
    PHYSICAL REVIEW B-CONDENSED MATTER
    
    Y. Mishin et al., "Interatomic potentials for monoatomic metals from experimental data and abinitio calculations", PHYS REV B, 59(5), 1999, pp. 3393-3407
21. Gross, A; Scheffler, M; Mehl, MJ; Papaconstantopoulos, DA
    Ab initio based tight-binding hamiltonian for the dissociation of molecules at surfaces
    PHYSICAL REVIEW LETTERS
    
    A. Gross et al., "Ab initio based tight-binding hamiltonian for the dissociation of molecules at surfaces", PHYS REV L, 82(6), 1999, pp. 1209-1212
22. Papanicolaou, NI; Kallinteris, GC; Evangelakis, GA; Papaconstantopoulos, DA; Mehl, MJ
    Second-moment interatomic potential for Cu-Au alloys based on total-energycalculations and its application to molecular-dynamics simulations
    JOURNAL OF PHYSICS-CONDENSED MATTER
    
    N.I. Papanicolaou et al., "Second-moment interatomic potential for Cu-Au alloys based on total-energycalculations and its application to molecular-dynamics simulations", J PHYS-COND, 10(48), 1998, pp. 10979-10990
23. YANG SH; MEHL MJ; PAPACONSTANTOPOULOS DA
    APPLICATION OF A TIGHT-BINDING TOTAL-ENERGY METHOD FOR AL, GA, AND IN
    Physical review. B, Condensed matter
    
    S.H. Yang et al., "APPLICATION OF A TIGHT-BINDING TOTAL-ENERGY METHOD FOR AL, GA, AND IN", Physical review. B, Condensed matter, 57(4), 1998, pp. 2013-2016
24. LI YB; BLAISTENBAROJAS E; PAPACONSTANTOPOULOS DA
    STRUCTURE AND DYNAMICS OF ALKALI-METAL CLUSTERS AND FISSION OF HIGHLY-CHARGED CLUSTERS
    Physical review. B, Condensed matter
    
    Y.B. Li et al., "STRUCTURE AND DYNAMICS OF ALKALI-METAL CLUSTERS AND FISSION OF HIGHLY-CHARGED CLUSTERS", Physical review. B, Condensed matter, 57(24), 1998, pp. 15519-15532
25. PAPACONSTANTOPOULOS DA; PICKETT WE
    TIGHT-BINDING COHERENT-POTENTIAL APPROXIMATION STUDY OF FERROMAGNETICLA2 3BA1/3MNO3/
    Physical review. B, Condensed matter
    
    D.A. Papaconstantopoulos e W.E. Pickett, "TIGHT-BINDING COHERENT-POTENTIAL APPROXIMATION STUDY OF FERROMAGNETICLA2 3BA1/3MNO3/", Physical review. B, Condensed matter, 57(20), 1998, pp. 12751-12756
26. Sigalas, MM; Rose, JH; Papaconstantopoulos, DA; Shore, HB
    Scaling lengths of elemental metals
    PHYSICAL REVIEW B-CONDENSED MATTER
    
    M.M. Sigalas et al., "Scaling lengths of elemental metals", PHYS REV B, 58(20), 1998, pp. 13438-13441
27. PAPACONSTANTOPOULOS DA; MEHL MJ
    THE TIGHT-BINDING METHOD FOR INTERPOLATING FIRST-PRINCIPLES TOTAL-ENERGY RESULTS
    Journal of phase equilibria
    
    D.A. Papaconstantopoulos e M.J. Mehl, "THE TIGHT-BINDING METHOD FOR INTERPOLATING FIRST-PRINCIPLES TOTAL-ENERGY RESULTS", Journal of phase equilibria, 18(6), 1997, pp. 593-597
28. BACALIS NC; ANAGNOSTOPOULOS GF; PAPANICOLAOU NI; PAPACONSTANTOPOULOS DA
    ELECTRONIC-STRUCTURE OF ORDERED AND DISORDERED CU-AG ALLOYS
    Physical review. B, Condensed matter
    
    N.C. Bacalis et al., "ELECTRONIC-STRUCTURE OF ORDERED AND DISORDERED CU-AG ALLOYS", Physical review. B, Condensed matter, 55(4), 1997, pp. 2144-2149
29. KALLINTERIS GC; PAPANICOLAOU NI; EVANGELAKIS GA; PAPACONSTANTOPOULOS DA
    TIGHT-BINDING INTERATOMIC POTENTIALS BASED ON TOTAL-ENERGY CALCULATION - APPLICATION TO NOBLE-METALS USING MOLECULAR-DYNAMICS SIMULATION
    Physical review. B, Condensed matter
    
    G.C. Kallinteris et al., "TIGHT-BINDING INTERATOMIC POTENTIALS BASED ON TOTAL-ENERGY CALCULATION - APPLICATION TO NOBLE-METALS USING MOLECULAR-DYNAMICS SIMULATION", Physical review. B, Condensed matter, 55(4), 1997, pp. 2150-2156
30. BACALIS NC; THEODORAKOPOULOS N; PAPACONSTANTOPOULOS DA
    WAVE-VECTOR-DEPENDENT STONER APPROACH TO BAND FERROMAGNETISM IN NI
    Physical review. B, Condensed matter
    
    N.C. Bacalis et al., "WAVE-VECTOR-DEPENDENT STONER APPROACH TO BAND FERROMAGNETISM IN NI", Physical review. B, Condensed matter, 55(17), 1997, pp. 11391-11394
31. LI YB; BLAISTENBAROJAS E; PAPACONSTANTOPOULOS DA
    MOLECULAR-DYNAMICS STUDY OF NEUTRAL AND MULTIPLY-CHARGED SODIUM CLUSTERS
    Chemical physics letters
    
    Y.B. Li et al., "MOLECULAR-DYNAMICS STUDY OF NEUTRAL AND MULTIPLY-CHARGED SODIUM CLUSTERS", Chemical physics letters, 268(5-6), 1997, pp. 331-336
32. GHEORGHIU A; SENEMAUD C; BELINFERRE E; DANKHAZI Z; MAGAUDMARTINAGE L; PAPACONSTANTOPOULOS DA
    COMPARISON OF THEORETICAL AND EXPERIMENTAL ELECTRONIC DISTRIBUTIONS OF SI-NI AND SI-ER ALLOYS
    Journal of physics. Condensed matter
    
    A. Gheorghiu et al., "COMPARISON OF THEORETICAL AND EXPERIMENTAL ELECTRONIC DISTRIBUTIONS OF SI-NI AND SI-ER ALLOYS", Journal of physics. Condensed matter, 8(6), 1996, pp. 719-728
33. MEHL MJ; PAPACONSTANTOPOULOS DA
    APPLICATIONS OF A TIGHT-BINDING TOTAL-ENERGY METHOD FOR TRANSITION AND NOBLE-METALS - ELASTIC-CONSTANTS, VACANCIES, AND SURFACES OF MONATOMIC METALS
    Physical review. B, Condensed matter
    
    M.J. Mehl e D.A. Papaconstantopoulos, "APPLICATIONS OF A TIGHT-BINDING TOTAL-ENERGY METHOD FOR TRANSITION AND NOBLE-METALS - ELASTIC-CONSTANTS, VACANCIES, AND SURFACES OF MONATOMIC METALS", Physical review. B, Condensed matter, 54(7), 1996, pp. 4519-4530
34. MEHL MJ; PAPACONSTANTOPOULOS DA
    APPLICATION OF A NEW TIGHT-BINDING METHOD FOR TRANSITION-METALS - MANGANESE
    Europhysics letters
    
    M.J. Mehl e D.A. Papaconstantopoulos, "APPLICATION OF A NEW TIGHT-BINDING METHOD FOR TRANSITION-METALS - MANGANESE", Europhysics letters, 31(9), 1995, pp. 537-541
35. MEHL MJ; PAPACONSTANTOPOULOS DA; COHEN RE
    A TIGHT-BINDING METHOD FOR THE EVALUATION OF THE TOTAL-ENERGY OF LARGE SYSTEMS
    International journal of thermophysics
    
    M.J. Mehl et al., "A TIGHT-BINDING METHOD FOR THE EVALUATION OF THE TOTAL-ENERGY OF LARGE SYSTEMS", International journal of thermophysics, 16(2), 1995, pp. 503-510
36. DELAISSARDIERE GT; DANKHAZI Z; BELIN E; SADOC A; DUC NM; MAYOU D; KEEGAN MA; PAPACONSTANTOPOULOS DA
    EXPERIMENTAL AND THEORETICAL ELECTRONIC DISTRIBUTIONS IN AL-CU-BASED ALLOYS
    Physical review. B, Condensed matter
    
    G.T. Delaissardiere et al., "EXPERIMENTAL AND THEORETICAL ELECTRONIC DISTRIBUTIONS IN AL-CU-BASED ALLOYS", Physical review. B, Condensed matter, 51(20), 1995, pp. 14035-14047
37. KEEGAN MA; PAPACONSTANTOPOULOS DA
    ELECTRONIC-STRUCTURE AND TOTAL-ENERGY CALCULATIONS BY A SEMI-SELF-CONSISTENT AUGMENTED-PLANE-WAVE METHOD
    Physical review. B, Condensed matter
    
    M.A. Keegan e D.A. Papaconstantopoulos, "ELECTRONIC-STRUCTURE AND TOTAL-ENERGY CALCULATIONS BY A SEMI-SELF-CONSISTENT AUGMENTED-PLANE-WAVE METHOD", Physical review. B, Condensed matter, 51(20), 1995, pp. 14048-14056
38. JULIEN JP; PAPACONSTANTOPOULOS DA; SINGH DJ; PICKETT WE; CYROTLACKMANN F
    ELECTRONIC-STRUCTURE OF THE BAA1-XBXO3(A,B=PB,BI,SN,SB) ALLOY SYSTEMS- IMPLICATIONS FOR SUPERCONDUCTIVITY
    Physica. C, Superconductivity
    
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39. PICKETT WE; PAPACONSTANTOPOULOS DA; PEDERSON MR; ERWIN SC
    ELECTRON-PHONON COUPLING IN A3C60 - CONTRIBUTIONS FROM INTERMOLECULARMODES
    Journal of superconductivity
    
    W.E. Pickett et al., "ELECTRON-PHONON COUPLING IN A3C60 - CONTRIBUTIONS FROM INTERMOLECULARMODES", Journal of superconductivity, 7(3), 1994, pp. 651-655
40. COHEN RE; MEHL MJ; PAPACONSTANTOPOULOS DA
    TIGHT-BINDING TOTAL-ENERGY METHOD FOR TRANSITION AND NOBLE-METALS
    Physical review. B, Condensed matter
    
    R.E. Cohen et al., "TIGHT-BINDING TOTAL-ENERGY METHOD FOR TRANSITION AND NOBLE-METALS", Physical review. B, Condensed matter, 50(19), 1994, pp. 14694-14697
41. SIGALAS MM; PAPACONSTANTOPOULOS DA
    CALCULATIONS OF THE TOTAL-ENERGY, ELECTRON-PHONON INTERACTION, AND STONER PARAMETER FOR METALS
    Physical review. B, Condensed matter
    
    M.M. Sigalas e D.A. Papaconstantopoulos, "CALCULATIONS OF THE TOTAL-ENERGY, ELECTRON-PHONON INTERACTION, AND STONER PARAMETER FOR METALS", Physical review. B, Condensed matter, 50(11), 1994, pp. 7255-7261
42. SIGALAS MM; PAPACONSTANTOPOULOS DA
    TRANSFERABLE TOTAL-ENERGY PARAMETRIZATION FOR METALS - APPLICATIONS TO ELASTIC-CONSTANT DETERMINATION
    Physical review. B, Condensed matter
    
    M.M. Sigalas e D.A. Papaconstantopoulos, "TRANSFERABLE TOTAL-ENERGY PARAMETRIZATION FOR METALS - APPLICATIONS TO ELASTIC-CONSTANT DETERMINATION", Physical review. B, Condensed matter, 49(3), 1994, pp. 1574-1579
43. SINGH DJ; PAPACONSTANTOPOULOS DA
    MAGNETIC AND ELECTRONIC-STRUCTURE OF COH
    Physical review. B, Condensed matter
    
    D.J. Singh e D.A. Papaconstantopoulos, "MAGNETIC AND ELECTRONIC-STRUCTURE OF COH", Physical review. B, Condensed matter, 49(18), 1994, pp. 12801-12804
44. KEEGAN MA; SKROCH J; PAPACONSTANTOPOULOS DA
    ANALYTIC EXPRESSIONS OF BAND-STRUCTURE POTENTIALS AND TRANSFERABILITYSTUDIES
    Modelling and simulation in materials science and engineering
    
    M.A. Keegan et al., "ANALYTIC EXPRESSIONS OF BAND-STRUCTURE POTENTIALS AND TRANSFERABILITYSTUDIES", Modelling and simulation in materials science and engineering, 1(3), 1993, pp. 307-313
45. MEHL MJ; SINGH DJ; PAPACONSTANTOPOULOS DA
    PROPERTIES OF ORDERED INTERMETALLIC ALLOYS - 1ST-PRINCIPLES AND APPROXIMATE METHODS
    Materials science & engineering. A, Structural materials: properties, microstructure and processing
    
    M.J. Mehl et al., "PROPERTIES OF ORDERED INTERMETALLIC ALLOYS - 1ST-PRINCIPLES AND APPROXIMATE METHODS", Materials science & engineering. A, Structural materials: properties, microstructure and processing, 170(1-2), 1993, pp. 49-57