Naoum Bacalis
Naoum Bacalis
National Hellenic Research Foundation, Theoretical and Physical Chemistry Institute
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Cited by
Cited by
Total energy and band structure of the 3d, 4d, and 5d metals
M Sigalas, DA Papaconstantopoulos, NC Bacalis
Physical Review B 45 (11), 5777, 1992
Biomonitoring human exposure to environmental carcinogenic chemicals
PB Farmer, O Sepai, R Lawrence, H Autrup, PS Nielsen, AB Vestergård, ...
Mutagenesis 11 (4), 363-381, 1996
Total-energy calculations of solid H, Li, Na, K, Rb, and Cs
M Sigalas, NC Bacalis, DA Papaconstantopoulos, MJ Mehl, ...
Physical Review B 42 (18), 11637, 1990
Systematic calculations of the band structures of the rare-gas crystals neon, argon, krypton, and xenon
NC Bacalis, DA Papaconstantopoulos, WE Pickett
Physical Review B 38 (9), 6218, 1988
Ab initio calculations of selected ionization states of Cu on MgO (001)
NC Bacalis, AB Kunz
Physical Review B 32 (8), 4857, 1985
Interaction of dioxygen with Al clusters and Al (111): A comparative theoretical study
C Mosch, C Koukounas, N Bacalis, A Metropoulos, A Gross, A Mavridis
The Journal of Physical Chemistry C 112 (17), 6924-6932, 2008
CRC Handbook of Calculated Electron Momentum Distributions, Compton Profiles, and X-Ray Form Factors of Elemental Solids
NI Papanicolaou, NC Bacalis, DA Papaconstantopoulos
CRC press, 1991
Various approximations made in augmented-plane-wave calculations
NC Bacalis, K Blathras, P Thomaides, DA Papaconstantopoulos
Physical Review B 32 (8), 4849, 1985
Transferable tight-binding parameters for ferromagnetic and paramagnetic iron
NC Bacalis, DA Papaconstantopoulos, MJ Mehl, M Lach-Hab
Physica B: Condensed Matter 296 (1-3), 125-128, 2001
State-specific theory and method for the computation of diatomic molecules: Application to He 2 2+ Σ g+ 1
NC Bacalis, Y Komninos, CA Nicolaides
Physical Review A 45 (5), 2701, 1992
Theoretical Compton profiles due to valence electrons of Ti and TiH2
NC Bacalis, NI Papanicolaou, DA Papaconstantopoulos
Journal of Physics F: Metal Physics 16 (10), 1471, 1986
Theoretical Study of the O2 Interaction with a Tetrahedral Al4 Cluster
NC Bacalis, A Metropoulos, A Gross
The Journal of Physical Chemistry A 114 (43), 11746-11750, 2010
Theory for the direct construction of diabatic states and application to the He+ 22Σ+ g spectrum
CA Nicolaides, NC Bacalis, Y Komninos
Chemical physics letters 192 (5-6), 486-492, 1992
Applications of the NRL tight-binding method to magnetic systems
MJ Mehl, DA Papaconstantopoulos, II Mazin, NC Bacalis, WE Pickett
Journal of Applied Physics 89 (11), 6880-6882, 2001
Inherent restrictions of the Hylleraas-Undheim-MacDonald higher roots, and minimization functionals at the excited states
NC Bacalis, Z Xiong, D Karaoulanis
Journal of Computational Methods in Sciences and Engineering 8 (4-6), 277-285, 2008
Calculation of the electron momentum density and Compton scattering measurements for nickel
DL Anastassopoulos, GD Priftis, NI Papanicolaou, NC Bacalis
Journal of Physics: Condensed Matter 3 (9), 1099, 1991
Calculation of the electron momentum density in Zr and ZrH 2
NI Papanicolaou, NC Bacalis, DA Papaconstantopoulos
Physical Review B 37 (15), 8627, 1988
Analytic atomic wave functions of NMCSCF quality: Applications
Z Xiong, MI Velgakis, NC Bacalis
International journal of quantum chemistry 104 (4), 418-429, 2005
Thermal solitons in the Toda chain
N Theodorakopoulos, NC Bacalis
Physical Review B 46 (17), 10706, 1992
Excited molecules and clusters in solid media. Hydrogen and tetrahydrogen in ionic crystals
CA Nicolaides, P Valtazanos, NC Bacalis
Chemical physics letters 151 (1-2), 22-26, 1988
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