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The calculation of atomic charges in crystals : A comparative analysis for the pseudo-orbital basisGORDIENKO, A. B; POPLAVNOI, A. S.Physica status solidi. B. Basic research. 1998, Vol 208, Num 2, pp 407-411, issn 0370-1972Article

Electron capture processes in strongly coupled semiclassical plasmasJUNG, Young-Dae.The European physical journal. D, Atomic, molecular and optical physics (Print). 2004, Vol 28, Num 2, pp 229-234, issn 1434-6060, 6 p.Article

Insight into gallium behavior in aluminum grain boundaries from calculation on Σ = 11 (113) boundaryTHOMSON, D. I; HEINE, V; PAYNE, M. C et al.Acta materialia. 2000, Vol 48, Num 14, pp 3623-3632, issn 1359-6454Article

Orthogonalising Pseudo-Potentials in electronic structure calculationsMITROY, J; RYZHIKH, G. G.Computer physics communications. 1999, Vol 123, Num 1-3, pp 103-113, issn 0010-4655Article

Plane-wave pseudopotential calculations of intrinsic defects in diamondLI, L. H; LOWTHER, J. E.The Journal of physics and chemistry of solids. 1997, Vol 58, Num 10, pp 1607-1610, issn 0022-3697Article

Electron localization at metal surfacesDE SANTIS, L; RESTA, R.Surface science. 2000, Vol 450, Num 1-2, pp 126-132, issn 0039-6028Article

Electronic properties of solid (Al12B)Li in the CsCl structureZI-ZHONG, Z; TIAN BO.Solid state communications. 1998, Vol 108, Num 11, pp 891-894, issn 0038-1098Article

Real-space formulation of the electrostatic potential and total energy of solidsPASK, J. E; STERNE, P. A.Physical review B. Condensed matter and materials physics. 2005, Vol 71, Num 11, pp 113101.1-113101.4, issn 1098-0121Article

Pseudopotential theory of semiconductor quantum dotsZUNGER, Alex.Physica status solidi. B. Basic research. 2001, Vol 224, Num 3, pp 727-734, issn 0370-1972Conference Paper

Computer simulation of materials at atomic levelDEAK, Peter; FRAUENHEIM, Thomas; PEDERSON, Mark R et al.Physica status solidi. B. Basic research. 2000, Vol 217, Num 1, issn 0370-1972, 722 p.Serial Issue

Buckyball superconductorsPREUSS, P.Advanced materials & processes. 1999, Vol 155, Num 3, pp 43-44, issn 0882-7958Article

Density functional study of Aun (n = 3-5) clusters on relaxed graphite surfacesGUAN MING WANG; BELBRUNO, Joseph J; KENNY, Steven D et al.Surface science. 2005, Vol 576, Num 1-3, pp 107-115, issn 0039-6028, 9 p.Article

Ab initio study of Yb on the Ge(111 )-(3 x 2) and Si(111 )-(3 x 2) surfacesÖZKAYA, S; CAKMAK, M; ALKAN, B et al.Surface science. 2010, Vol 604, Num 21-22, pp 1899-1905, issn 0039-6028, 7 p.Article

Compton scattering study of ZnSeVYAS, V; PURVIA, V; SHARMA, Y. C et al.Physica status solidi. B. Basic research. 2006, Vol 243, Num 6, pp 1253-1262, issn 0370-1972, 10 p.Article

Density functional study of oxygen adsorption on 4-Å carbon nanotubesLIU, H. J; CHAU, C. T; LIU, Z. Y et al.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 7, pp 075437.1-075437.6, issn 1098-0121Article

Adsorption and diffusion of Pt and Au on the stoichiometric and reduced TiO2 rutile (110) surfacesIDDIR, Hakim; ÖGüT, Serdar; BROWNING, Nigel D et al.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 8, pp 081407.1-081407.4, issn 1098-0121Article

Dispersion of vibrational modes in benzoic acid crystalsJOHNSON, M. R; TROMMSDORFF, H. P.Chemical physics letters. 2002, Vol 364, Num 1-2, pp 34-38, issn 0009-2614, 5 p.Article

Vacancy ordering/disordering and electronic structures of II1III2VI4 compoundsISHIKAWA, M; NAKAYAMA, T.Journal of crystal growth. 2000, Vol 214-15, pp 452-456, issn 0022-0248Conference Paper

Electronic structure prediction via data-mining the empirical pseudopotential methodZENASNI, H; AOURAG, H; BRODERICK, S. R et al.Physica status solidi. B. Basic research. 2010, Vol 247, Num 1, pp 115-121, issn 0370-1972, 7 p.Article

Model pseudopotential for the (110) surface of fcc noble metalsTSIRKIN, S. S; EREMEEV, S. V; CHULKOV, E. V et al.Surface science. 2010, Vol 604, Num 9-10, pp 804-810, issn 0039-6028, 7 p.Article

A pseudopotential approach to the viscosity of liquid Cu-based alloysTERZIEFF, Peter.Journal of alloys and compounds. 2009, Vol 473, Num 1-2, pp 195-200, issn 0925-8388, 6 p.Article

Evidence of surface magnetism in the V/Nb(001) system : A total energy pseudopotential calculationRAMANATHAN, A. A; KHALIFEH, J. M; HAMAD, B. A et al.Surface science. 2008, Vol 602, Num 2, pp 607-613, issn 0039-6028, 7 p.Article

A new method for treating the hard core potentialYAMASAKI, Shuichiro.Progress of theoretical physics. 2006, Vol 115, Num 1, pp 89-114, issn 0033-068X, 26 p.Article

First-principles calculation of field emission from adsorbed atom on metallic electrodeKOBAYASHI, Nobuhiko; HIROSE, Kenji; TSUKADA, Masaru et al.Applied surface science. 2004, Vol 237, Num 1-4, pp 572-575, issn 0169-4332, 4 p.Conference Paper

The pseudopotential-density functional method applied to nanostructuresCHELIKOWSKY, J. R.Journal of physics. D, Applied physics (Print). 2000, Vol 33, Num 8, pp R33-R50, issn 0022-3727Article

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