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The Journal of Chemical Physics, ISSN 0021-9606, 11/2018, Volume 149, Issue 17, p. 174110
We lay out the extension of range-separated density-functional theory to a four-component relativistic framework using a Dirac-Coulomb-Breit Hamiltonian in the... 
LONG-RANGE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS | BREIT | CHEMISTRY, PHYSICAL | ATOMS | CORRELATION ENERGY | FOUNDATIONS | Exchanging | Approximation | Approximants | Relativity | Relativistic particles | Relativistic effects | Mathematical analysis | Relativistic theory | Relativism | Density functional theory | Formalism | Electrons | Electron gas | Physics - Chemical Physics | Physics | Chemical Physics
Journal Article
Journal of Physics G: Nuclear and Particle Physics, ISSN 0954-3899, 06/2018, Volume 45, Issue 7, p. 75103
Combining the modified Skyrme-like model and the local density approximation model, the slope parameter L of symmetry energy is extracted from the properties... 
properties of finite nuclei | the modified Skyrmelike model | symmetry energy | the local density approximation model | NEUTRON | EQUATION-OF-STATE | the modified Skyrme-like model | ELECTRON-SCATTERING | RADII | PHYSICS, NUCLEAR | PHYSICS | PHYSICS, PARTICLES & FIELDS
Journal Article
Computer Physics Communications, ISSN 0010-4655, 08/2014, Volume 185, Issue 8, pp. 2221 - 2231
Journal Article
J Phys Soc Jpn, ISSN 0031-9015, 5/2011, Volume 80, Issue 5, pp. 053706 - 053706-3
We implemented a self-interaction correction (SIC) into first-principles calculation code to go beyond local density approximation and applied it to CuAlO 2 .... 
Self-interaction correction | First-principles calculation | Local density approximation | PSEUDOPOTENTIALS | self-interaction correction | PHYSICS, MULTIDISCIPLINARY | first-principles calculation | local density approximation
Journal Article
by Li, JP and Meng, SH and Niu, JH and Lu, HT
JOURNAL OF ADVANCED CERAMICS, ISSN 2226-4108, 03/2017, Volume 6, Issue 1, pp. 43 - 49
The electronic structures and optical properties of the monoclinic ZrO2 (m-ZrO2) are investigated by means of first-principles local density approximation... 
HFO2 | monoclinic ZrO2 (m-ZrO2) | ZIRCONIA | GATE DIELECTRICS | DEPOSITION | SILICON | first-principles | MATERIALS SCIENCE, CERAMICS | optical properties | FILMS | local density approximation (LDA) plus U | electronic structure | OXIDES | CRYSTALLINE | SPECTRA
Journal Article
Journal of Advanced Ceramics, ISSN 2226-4108, 3/2017, Volume 6, Issue 1, pp. 43 - 49
Journal Article
Methodology and Computing in Applied Probability, ISSN 1387-5841, 9/2016, Volume 18, Issue 3, pp. 847 - 867
Journal Article
Journal of the Physical Society of Japan, ISSN 0031-9015, 10/2009, Volume 78, Issue 10
Journal Article
Journal of the Physical Society of Japan, ISSN 0031-9015, 2009, Volume 78, Issue 10, pp. 104705 - 104705
The first-principles band calculation of an itinerant cerium compound CeCoSi2 is performed using a relativistic LAPW method with exchange and correlation... 
CeCoSi2 | angle-resolved photoemission | Fermi surface | energy band structure | local-density approximation | ITINERANT | PHYSICS, MULTIDISCIPLINARY | MAGNETIC-PROPERTIES
Journal Article
by Ding, YC and Zhou, HP and Xu, M and Shen, YB and Chen, QY and Zhu, WJ and He, HL
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, ISSN 0217-9792, 05/2008, Volume 22, Issue 13, pp. 2155 - 2165
The electronic structure, and optical and mechanical properties of gamma-Si3N4 are calculated by means of the plane-wave pseudo-potential method (PWP) with... 
CUBIC SILICON-NITRIDE | SI3N4 | NORM-CONSERVING PSEUDOPOTENTIALS | PHYSICS, CONDENSED MATTER | generalized gradient approximation | PHYSICS, APPLIED | first-principles study | PHASE-TRANSITION | HARDNESS | PHYSICS, MATHEMATICAL | local density approximation | gamma-Si3N4
Journal Article
International Journal of Modern Physics B, ISSN 0217-9792, 05/2008, Volume 22, Issue 13, pp. 2157 - 2167
The electronic structure, and optical and mechanical properties of gamma-Si3N4 are calculated by means of the plane-wave pseudo-potential method (PWP) with... 
Gamma-Si | First-principles study | Generalized gradient approximation | Local density approximation
Journal Article
Journal of Quantitative Spectroscopy and Radiative Transfer, ISSN 0022-4073, 2001, Volume 71, Issue 2, pp. 257 - 272
Journal Article