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- PARSEC abstract "PARSEC is a package designed to perform electronic structure calculations of solids and molecules using density functional theory (DFT). The acronym stands for Pseudopotential Algorithm for Real-Space Electronic Calculations. It solves the Kohn–Sham equations in real space, without the use of explicit basis sets.One of the strengths of this code is that it handles non-periodic boundary conditions in a natural way, without the use of super-cells, but can equally well handle periodic and partially periodic boundary conditions. Another key strength is that it is readily amenable to efficient massive parallelization, making it highly effective for very large systems.Its development started in early 1990s with James Chelikowsky (now at the University of Texas), Yousef Saad and collaborators at the University of Minnesota. The code is freely available under the GNU GPLv2. Currently, its public version is 1.3.6. Some of the physical/chemical properties calculated by this code are: Kohn–Sham band structure, atomic forces (including molecular dynamics capabilities), static susceptibility, magnetic dipole moment, and many additional molecular and solid state properties.".
- PARSEC wikiPageExternalLink parsec.ices.utexas.edu.
- PARSEC wikiPageID "14231240".
- PARSEC wikiPageLength "2904".
- PARSEC wikiPageOutDegree "18".
- PARSEC wikiPageRevisionID "599629060".
- PARSEC wikiPageWikiLink Band_structure.
- PARSEC wikiPageWikiLink Basis_set_(chemistry).
- PARSEC wikiPageWikiLink Category:Computational_chemistry_software.
- PARSEC wikiPageWikiLink Category:Density_functional_theory.
- PARSEC wikiPageWikiLink Category:Physics_software.
- PARSEC wikiPageWikiLink Density_functional_theory.
- PARSEC wikiPageWikiLink Electric_susceptibility.
- PARSEC wikiPageWikiLink Electronic_band_structure.
- PARSEC wikiPageWikiLink Electronic_structure.
- PARSEC wikiPageWikiLink GNU_GPL.
- PARSEC wikiPageWikiLink GNU_General_Public_License.
- PARSEC wikiPageWikiLink Kohn–Sham_equations.
- PARSEC wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
- PARSEC wikiPageWikiLink Magnetic_dipole_moment.
- PARSEC wikiPageWikiLink Magnetic_moment.
- PARSEC wikiPageWikiLink Molecule.
- PARSEC wikiPageWikiLink Molecules.
- PARSEC wikiPageWikiLink Quantum_chemistry_computer_programs.
- PARSEC wikiPageWikiLink Solid.
- PARSEC wikiPageWikiLink Solids.
- PARSEC wikiPageWikiLink University_of_Minnesota.
- PARSEC wikiPageWikiLink University_of_Texas.
- PARSEC wikiPageWikiLink University_of_Texas_at_Austin.
- PARSEC wikiPageWikiLink Yousef_Saad.
- PARSEC wikiPageWikiLinkText "PARSEC".
- PARSEC hasPhotoCollection PARSEC.
- PARSEC wikiPageUsesTemplate Template:For.
- PARSEC wikiPageUsesTemplate Template:Official_website.
- PARSEC subject Category:Computational_chemistry_software.
- PARSEC subject Category:Density_functional_theory.
- PARSEC subject Category:Physics_software.
- PARSEC hypernym Package.
- PARSEC type Software.
- PARSEC type Mechanic.
- PARSEC type Method.
- PARSEC type Physic.
- PARSEC comment "PARSEC is a package designed to perform electronic structure calculations of solids and molecules using density functional theory (DFT). The acronym stands for Pseudopotential Algorithm for Real-Space Electronic Calculations.".
- PARSEC label "PARSEC".
- PARSEC sameAs m.03cykht.
- PARSEC sameAs Q7118228.
- PARSEC sameAs Q7118228.
- PARSEC wasDerivedFrom PARSEC?oldid=599629060.
- PARSEC homepage parsec.ices.utexas.edu.
- PARSEC isPrimaryTopicOf PARSEC.