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Results 1 to 25 of 328

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Electronic and optical properties of a-C from tight-binding molecular dynamics simulationsMATHIOUDAKIS, C; KOPIDAKIS, G; KELIRES, P. C et al.Thin solid films. 2005, Vol 482, Num 1-2, pp 151-155, issn 0040-6090, 5 p.Conference Paper

Investigation of the pressure dependence of band gaps for silver halides within a first-principles methodOKOYE, C. M. I.Solid state communications. 2004, Vol 129, Num 1, pp 69-73, issn 0038-1098, 5 p.Article

Calculated band structures and optical properties of lead chalcogenides PbX (X = S, Se, Te) under hydrostatic pressureRACHED, D; RABAH, M; BENKHETTOU, N et al.Physica. B, Condensed matter. 2003, Vol 337, Num 1-4, pp 394-403, issn 0921-4526, 10 p.Article

Absolute deformation potential with a compressed atom modelKOSAKA, K; TAKARABE, K.Physica status solidi. B. Basic research. 2003, Vol 235, Num 2, pp 423-426, issn 0370-1972, 4 p.Conference Paper

Phase transition from bubble state to stripe state for two-dimensional electrons in high Landau levelsXINGUO REN; SHIJIE YANG; YUE YU et al.Journal of physics. Condensed matter (Print). 2002, Vol 14, Num 15, pp 3931-3937, issn 0953-8984Article

Theory of valence and conduction band offsets in Si/Si1-yCy heterostructuresEKPUNOBI, A. J; ANIMALU, A. O. E.Superlattices and microstructures. 2002, Vol 31, Num 5, pp 253-256, issn 0749-6036, 4 p.Article

Structural properties and magnetism of Fe overlayers on GaAs(001) surfaceHONG, Soon C; CHUNG, Moon S; YOON, Byung-G et al.Journal of magnetism and magnetic materials. 2002, Vol 239, Num 1-3, pp 39-41, issn 0304-8853Conference Paper

Tight-binding theory in the computational materials scienceMASUDA-JINDO, Kinichi.Materials transactions - JIM. 2001, Vol 42, Num 6, pp 979-993, issn 0916-1821Article

An alternative way of linearizing the augmented plane-wave methodSJÖSTEDT, E; NORDSTRÖM, L; SINGH, D. J et al.Solid state communications. 2000, Vol 114, Num 1, pp 15-20, issn 0038-1098Article

Contributions of non-spherical potentials near atomic nuclei : Improvement of FLAPW methodBETSUYAKU, K; HARIMAL, H; YANASE, A et al.Journal of magnetism and magnetic materials. 1998, Vol 177-81, pp 1405-1406, issn 0304-8853, 2Conference Paper

The exact formula for an energy band spectrum gradient within the new completely orthogonalized plane wave methodSYROTYUK, S. V; KYNASH, YU. E; SOBCHUK, I. S et al.Physica status solidi. B. Basic research. 1997, Vol 200, Num 1, pp 129-136, issn 0370-1972Article

Interface sensitivity in quantum transport through single moleculesTAGAMI, Katsunori; LIGUANG WANG; TSUKADA, Masaru et al.Nano letters (Print). 2004, Vol 4, Num 2, pp 209-212, issn 1530-6984, 4 p.Article

On the analyticity of solutions in the dynamical mean-field theoryPRUSCHKE, Th; METZNER, W; VOLLHARDT, D et al.Journal of physics. Condensed matter (Print). 2001, Vol 13, Num 42, pp 9455-9461, issn 0953-8984Article

Theory of composite-band Wannier states and order-N electronic-structure calculationsHOSHI, Takeo; FUJIWARA, Takeo.Journal of the Physical Society of Japan. 2000, Vol 69, Num 12, pp 3773-3776, issn 0031-9015Article

Scalar-relativistic spline augmented plane-wave method using a Douglas Kroll transformation in coordinate representationFEHRENBACH, G. M; BROSS, H.The European physical journal. B, Condensed matter physics. 1999, Vol 9, Num 1, pp 37-48, issn 1434-6028Article

An efficient preconditioning scheme for plane-wave-based electronic structure calculationsSAWAMURA, A; KOHYAMA, M; KEISHI, T et al.Computational materials science. 1999, Vol 14, Num 1-4, pp 4-7, issn 0927-0256Conference Paper

Coherent electronic transport through single molecules: Negative differential resistance and magnetoresistance effectsBABIACZYK, W. I; BULKA, B. R.Physica status solidi. A. Applied research. 2003, Vol 196, Num 1, pp 169-172, issn 0031-8965, 4 p.Conference Paper

Ensemble-Hartree-Fock scheme for excited states. The optimized effective potential methodGIDOPOULOS, N. I; PAPACONSTANTINOU, P. G; GROSS, E. K. U et al.Physica. B, Condensed matter. 2002, Vol 318, Num 4, pp 328-332, issn 0921-4526Article

Implementation of the cyclic cluster model in Hartree-Fock LCAO calculations of crystalline systemsBREDOW, T; EVARESTOV, R. A; JUG, K et al.Physica status solidi. B. Basic research. 2000, Vol 222, Num 2, pp 495-516, issn 0370-1972Article

Application of the exact muffin-tin orbitals theory : the spherical cell approximationVITOS, L; SKRIVER, H. L; JOHANSSON, B et al.Computational materials science. 2000, Vol 18, Num 1, pp 24-38, issn 0927-0256Conference Paper

Calculation of electronic properties of paramagnetic Cu-Ni alloys using APW method in the virtual-crystal approximationKAROLIK, A. S; GOLUB, V. M.Physics of metals and metallography. 1997, Vol 83, Num 5, pp 461-467, issn 0031-918XArticle

Confinement and the CLOPW methodBEKKER, H. G; WIJERS, C. M. J; CHRISTENSEN, N. E et al.Physica. B, Condensed matter. 1996, Vol 217, Num 3-4, pp 193-206, issn 0921-4526Article

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis setKRESSE, G; FURTHMÜLLER, J.Computational materials science. 1996, Vol 6, Num 1, pp 15-50, issn 0927-0256Article

First-principles calculations of conductance within a plane wave basis set via non-orthogonal wannier-type atomic orbitalsZHENYU LI; KOSOV, D. S.Journal of physics. Condensed matter (Print). 2006, Vol 18, Num 4, pp 1347-1358, issn 0953-8984, 12 p.Article

Ab initio study of nanostructures : Ultra thin ZnS filmsAGRAWAL, B. K; AGRAWAL, Savitri.Progress in crystal growth and characterization of materials. 2006, Vol 52, Num 1-2, pp 21-26, issn 0960-8974, 6 p.Conference Paper

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