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A novel formulation of a local-scaling density functional theoryKOSAKA, Keiji.Journal of the Physical Society of Japan. 2004, Vol 73, Num 4, pp 882-884, issn 0031-9015, 3 p.Article

Exact solution of an impurity semiconductor model by Hamiltonian renormalizationMINCU, A. T.Physica. B, Condensed matter. 2004, Vol 350, Num 4, pp 313-324, issn 0921-4526, 12 p.Article

First-principles prediction of redox potentials in transition-metal compounds with LDA+UZHOU, F; COCOCCIONI, M; MARIANETTI, C. A et al.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 23, pp 235121.1-235121.8, issn 1098-0121Article

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Coherent potential approximation for charge ordering in the extended Hubbard modelHOANG, A. T; THALMEIER, P.Journal of physics. Condensed matter (Print). 2002, Vol 14, Num 26, pp 6639-6646, issn 0953-8984Article

Conceptual improvements of the KKR methodPAPANIKOLAOU, N; ZELLER, R; DEDERICHS, P. H et al.Journal of physics. Condensed matter (Print). 2002, Vol 14, Num 11, pp 2799-2823, issn 0953-8984Article

Ab initio cluster study of the bilayer manganite La_2-2xSr_1+2xMn₂O₇MIYAKI, Satoru; KOIZUMI, Hiroyasu; MAKOSHI, Kenji et al.Chemical physics letters. 2001, Vol 350, Num 3-4, pp 359-366, issn 0009-2614Article

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Self-consistent finite-difference electronic structure calculations for large systemsBENHAM, S. P; THIJSSEN, J. M; INGLESFIELD, J. E et al.Computational materials science. 2000, Vol 17, Num 2-4, pp 160-163, issn 0927-0256Conference Paper

Theoretical possibility of the stable high spin multiple states in the Boron-Carbon layered systemsTAKAHASHI, Norihiko; TAKEUCHI, J. O; TAKEDA, Kyozaburo et al.Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals. 2000, Vol 340, pp 121-126, issn 1058-725XConference Paper

The molecular crystal approach for π-conjugated polymers : from the Pariser-Parr-Pople Hamiltonian to the Holstein model for polaron statesPLEUTIN, S; FAVE, J.-L.Journal of physics. Condensed matter (Print). 1999, Vol 11, Num 48, pp 9629-9645, issn 0953-8984Article

A note on a wavefunction formulation of the Korringa-Kohn-Rostoker method for calculating the electronic structure of layered systemsSCHWITALLA, J; GYÖRFFY, B. L.Journal of physics. Condensed matter (Print). 1999, Vol 11, Num 37, pp 7125-7142, issn 0953-8984Article

Localized basis set optimizationESFARJANI, K; FARAJIAN, A. A; KAWAZOE, Y et al.Computational materials science. 1999, Vol 15, Num 3, pp 351-356, issn 0927-0256Article

Temperature effect on the spin density of hydrogen atom trapped in the interstitial site of diamond crystal : a direct molecular orbital dynamics approachSHIMIZU, A; INAGAKI, M; TACHIKAWA, H et al.The Journal of physics and chemistry of solids. 1999, Vol 60, Num 11, pp 1811-1815, issn 0022-3697Article

Berry's phase and absence of back scattering in carbon nanotubesANDO, T; NAKANISHI, T; SAITO, R et al.Journal of the Physical Society of Japan. 1998, Vol 67, Num 8, pp 2857-5862, issn 0031-9015Article

Stress correction for slab asymmetry in supercell calculationsFEIBELMAN, Peter J.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 15, pp 153408.1-153408.2, issn 1098-0121Article

Exchange and correlation as a functional of the local density of statesSOLER, José M.Physical review B. Condensed matter and materials physics. 2004, Vol 69, Num 19, pp 195101.1-195101.5, issn 1098-0121Article

Band-gap energy in the random-phase approximation to density-functional theoryNIQUET, Y. M; GONZE, X.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 24, pp 245115.1-245115.12, issn 1098-0121Article

Experimental observation of an atomic hydrogen material with H-H bond distance of 150 pm suggesting metallic hydrogenBADIEI, Shahriar; HOLMLID, Leif.Journal of physics. Condensed matter (Print). 2004, Vol 16, Num 39, pp 7017-7023, issn 0953-8984, 7 p.Article

On the equivalence of different techniques for evaluating the Green function for a semi-infinite system using a localized basisVELEV, Julian; BUTLER, William.Journal of physics. Condensed matter (Print). 2004, Vol 16, Num 21, pp R637-R657, issn 0953-8984Article

kp-approach for non-symmetric short-range defects : Resonant states and alloy bandstructureVASKO, F. T.Physica status solidi. B. Basic research. 2004, Vol 241, Num 2, pp 329-338, issn 0370-1972, 10 p.Article