Investigation of electronic properties of space-charge quantum wiresMARIETTA, A; FANYAO QU; DANTAS, N. O et al.Microelectronics journal. 2003, Vol 34, Num 5-8, pp 663-665, issn 0959-8324, 3 p.Conference Paper

Structural and thermodynamic properties of MgB₂ from first-principles calculationsGU, Hua-Zhong; CHEN, Xiang-Rong; CAI, Ling-Cang et al.Solid state communications. 2005, Vol 134, Num 12, pp 787-790, issn 0038-1098, 4 p.Article

Structural and elastic properties of AlB₂ compound via first-principles calculationsKE LIU; ZHOU, Xiao-Lin; CHEN, Xiang-Rong et al.Physica. B, Condensed matter. 2007, Vol 388, Num 1-2, pp 213-218, issn 0921-4526, 6 p.Article

Structural and electronic properties of H-passivated grapheneALZAHRANI, A. Z; SRIVASTAVA, G. P.Applied surface science. 2010, Vol 256, Num 19, pp 5783-5788, issn 0169-4332, 6 p.Conference Paper

Generalized local density approximation in an inhomogeneous electron liquidGAL, T; NAGY, A; MARCH, N. H et al.Physics and chemistry of liquids Print. 1999, Vol 37, Num 6, pp 641-648, issn 0031-9104Article

Local density approximation versus generalized gradient approximation : full charge density study of the atomic volume of the light actinidesVITOS, L; KOLLAR, J; SKRIVER, H. L et al.Journal of alloys and compounds. 1998, Vol 271-73, pp 339-341, issn 0925-8388Conference Paper

Cyclic cluster model for calculating defects in solids using the local density approximationMIRO, J; DEAK, P; EWELS, C. P et al.Journal of physics. Condensed matter (Print). 1997, Vol 9, Num 44, pp 9555-9562, issn 0953-8984Article

Self-consistent implementation of nonlocal exchange and correlation in a Gaussian density-functional methodMLYNARSKI, P; SALAHUB, D. R.Physical review. B, Condensed matter. 1991, Vol 43, Num 2, pp 1399-1410, issn 0163-1829, 12 p.Article

Nonempirical construction of current-density functionals from conventional density-functional approximationsJIANMIN TAO; PERDEW, John P.Physical review letters. 2005, Vol 95, Num 19, pp 196403.1-196403.4, issn 0031-9007Article

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

Derivation of force theorems in density-functional theory : application to the full-potential LMTO methodMETHFESSEL, M; VAN SCHIFGAARDE, M.Physical review. B, Condensed matter. 1993, Vol 48, Num 7, pp 4937-4940, issn 0163-1829Article

Relativistic estended Thomas-Fermi calculations of finite nucleiCENTELLES, M; VINAS, X; BARRANCO, M et al.Journal of physics. G. Nuclear and particle physics (Print). 1991, Vol 17, Num 11, pp L193-L199, issn 0954-3899Article

Ferroelectricity of perovskites under pressureKORNEV, Igor A; BELLAICHE, L; BOUVIER, P et al.Physical review letters. 2005, Vol 95, Num 19, pp 196804.1-196804.4, issn 0031-9007Article

Melting curve of MgO from first-principles simulationsALFE, Dario.Physical review letters. 2005, Vol 94, Num 23, pp 235701.1-235701.4, issn 0031-9007Article

Testing the local density approximation with energy-versus-separation curves of jellium slab pairsDOBSON, John F; JUN WANG.Physical review B. Condensed matter and materials physics. 2004, Vol 69, Num 23, pp 235104.1-235104.9, issn 1098-0121Article

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

Nonlocal Wigner-like correlation-energy density functional through coordinate scalingWILSON, L. C; LEVY, M.Physical review. B, Condensed matter. 1990, Vol 41, Num 18, pp 12930-12932, issn 0163-1829Article

Extension of the local density approximation to a new class of potentialsTROTT, M; SCHNITTLER, C.Physica status solidi. B. Basic research. 1989, Vol 153, Num 1, pp K39-K44, issn 0370-1972Article

Baryonic masses based on the NJL modelALBERICO, W. M; GIACOSA, F; NARDI, M et al.The European physical journal. A, Hadrons and nuclei. 2003, Vol 16, Num 2, pp 221-228, 8 p.Article

Description of the antiferromagnetic state by a molecular orbital method with the use of the regular local density approximationFUKUSHIMA, K.Journal of the Physical Society of Japan. 2000, Vol 69, Num 4, pp 1247-1248, issn 0031-9015Article

Self-Interaction Corrected Electronic Structure and Energy Gap of CuAlO₂ beyond Local Density ApproximationNAKANISHI, Akitaka; KATAYAMA-YOSHIDA, Hiroshi.Journal of the Physical Society of Japan. 2011, Vol 80, Num 5, issn 0031-9015, 053706.1-053706.3Article

Theoretical study of band gap in CuAlO₂: Pressure dependence and self-interaction correctionNAKANISHI, Akitaka; KATAYAMA-YOSHIDA, Hiroshi.Physica. B, Condensed matter. 2012, Vol 407, Num 15, pp 2861-2863, issn 0921-4526, 3 p.Conference Paper

Electronic properties and stability of ZnO from computational studyAZZAZ, Y; KACIMI, S; ZAOUI, A et al.Physica. B, Condensed matter. 2008, Vol 403, Num 18, pp 3154-3158, issn 0921-4526, 5 p.Article

First-principles calculations of elastic constants of c-BNHAO, Yan-Jun; CHEN, Xiang-Rong; CUI, Hong-Ling et al.Physica. B, Condensed matter. 2006, Vol 382, Num 1-2, pp 118-122, issn 0921-4526, 5 p.Article

Vacancy effects on structural and electronic properties of 4d transition-metal carbidesZAOUI, A; KACIMI, S; ZAOUI, M et al.Computational materials science. 2009, Vol 44, Num 4, pp 1071-1075, issn 0927-0256, 5 p.Article