| Theory of magnetic and structural ordering in iron CS Wang, BM Klein, H Krakauer Physical review letters 54 (16), 1852, 1985 | 628 | 1985 |
| Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations MJ Mehl, JE Osburn, DA Papaconstantopoulos, BM Klein Physical Review B 41 (15), 10311, 1990 | 538 | 1990 |
| Intermetallic compounds: principle and practice MJ Mehl, BM Klein, DA Papaconstantopoulos Principles 1, 195-210, 1995 | 461* | 1995 |
| First-principles electronic structure of Si, Ge, GaP, GaAs, ZnS, and ZnSe. I. Self-consistent energy bands, charge densities, and effective masses CS Wang, BM Klein Physical Review B 24 (6), 3393, 1981 | 432 | 1981 |
| Self-consistent augmented-plane-wave electronic-structure calculations for the A 15 compounds V 3 X and Nb 3 X, X= A l, G a, S i, G e, a n d S n BM Klein, LL Boyer, DA Papaconstantopoulos, LF Mattheiss Physical Review B 18 (12), 6411, 1978 | 307 | 1978 |
| Electronic properties of transition-metal nitrides: The group-V and group-VI nitrides VN, NbN, TaN, CrN, MoN, and WN DA Papaconstantopoulos, WE Pickett, BM Klein, LL Boyer Physical Review B 31 (2), 752, 1985 | 302 | 1985 |
| Calculations of the superconducting properties of 32 metals with Z≤ 49 DA Papaconstantopoulos, LL Boyer, BM Klein, AR Williams, VL Morruzzi, ... Physical Review B 15 (9), 4221, 1977 | 294 | 1977 |
| Band structure and superconductivity of Pd D x and Pd H x DA Papaconstantopoulos, BM Klein, EN Economou, LL Boyer Physical Review B 17 (1), 141, 1978 | 284 | 1978 |
| First-principles electronic structure of Si, Ge, GaP, GaAs, ZnS, and ZnSe. II. optical properties CS Wang, BM Klein Physical Review B 24 (6), 3417, 1981 | 269 | 1981 |
| Cubic around 200 GPa: An atomic hydrogen superconductor stabilized by sulfur DA Papaconstantopoulos, BM Klein, MJ Mehl, WE Pickett Physical Review B 91 (18), 184511, 2015 | 171 | 2015 |
| Superconductivity in the palladium-hydrogen system DA Papaconstantopoulos, BM Klein Physical Review Letters 35 (2), 110, 1975 | 163 | 1975 |
| Finite-element methods in electronic-structure theory JE Pask, BM Klein, PA Sterne, CY Fong Computer Physics Communications 135 (1), 1-34, 2001 | 147 | 2001 |
| Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach JE Pask, BM Klein, CY Fong, PA Sterne Physical Review B 59 (19), 12352, 1999 | 147 | 1999 |
| Electron-phonon interaction and superconductivity in transition metals and transition-metal carbides BM Klein, DA Papaconstantopoulos Physical Review Letters 32 (21), 1193, 1974 | 147 | 1974 |
| Linear-combination-of-atomic-orbitals-coherent-potential-approximation studies of carbon vacancies in the substoichiometric refractory monocarbides Nb C x, Ta C x, and Hf C x BM Klein, DA Papaconstantopoulos, LL Boyer Physical Review B 22 (4), 1946, 1980 | 140 | 1980 |
| Coherent-potential-approximation calculations for Pd H x DA Papaconstantopoulos, BM Klein, JS Faulkner, LL Boyer Physical Review B 18 (6), 2784, 1978 | 138 | 1978 |
| Effect of self-consistency and exchange on the electronic structure of the transition metals, V, Nb, and Ta LL Boyer, DA Papaconstantopoulos, BM Klein Physical Review B 15 (8), 3685, 1977 | 126 | 1977 |
| Valence-band spectra and electronic structure of CuFeO 2 VR Galakhov, AI Poteryaev, EZ Kurmaev, VI Anisimov, M Neumann, ... Physical Review B 56 (8), 4584, 1997 | 124 | 1997 |
| Competition between magnetic and structural transitions in CrN A Filippetti, WE Pickett, BM Klein Physical Review B 59 (10), 7043, 1999 | 117 | 1999 |
| Electronic structure, superconductivity, and magnetism in the C 15 compounds Zr V 2, Zr Fe 2, and Zr Co 2 BM Klein, WE Pickett, DA Papaconstantopoulos, LL Boyer Physical Review B 27 (11), 6721, 1983 | 114 | 1983 |
