N. C. Bacalis

Total energy and band structure of the 3<i>d</i>, 4<i>d</i>, and 5<i>d</i>metals

M. M. Sigalas, D. A. Papaconstantopoulos, N. C. Bacalis · Physical review. B, Condensed matter · 1992 · 120 citations

Total Energy, Engineering, Total-energy Calculations +16

Transferable tight-binding parameters for ferromagnetic and paramagnetic iron

N. C. Bacalis, D. A. Papaconstantopoulos, M. J. Mehl et al. · Physica B Condensed Matter · 2001 · 86 citations

Magnetism, Ferromagnetism, Spintronics +8

Total-energy calculations of solid H, Li, Na, K, Rb, and Cs

M. M. Sigalas, N. C. Bacalis, D. A. Papaconstantopoulos et al. · Physical review. B, Condensed matter · 1990 · 57 citations · Full text

Total Energy, Engineering, Solid-state Chemistry +16

Systematic calculations of the band structures of the rare-gas crystals neon, argon, krypton, and xenon

N. C. Bacalis, D. A. Papaconstantopoulos, Warren E. Pickett · Physical review. B, Condensed matter · 1988 · 56 citations

Ld Band Gap, Crystal Structure, Engineering +17

<i>Ab initio</i>calculations of selected ionization states of Cu on MgO(001)

N. C. Bacalis, A. Barry Kunz · Physical review. B, Condensed matter · 1985 · 55 citations

Engineering, Computational Chemistry, Atop Oxygen +17