-
1دورية أكاديمية
المؤلفون: Qimen Xu, Abhiraj Sharma, Benjamin Comer, Hua Huang, Edmond Chow, Andrew J. Medford, John E. Pask, Phanish Suryanarayana
المصدر: SoftwareX, Vol 15, Iss , Pp 100709- (2021)
مصطلحات موضوعية: Kohn–Sham, Density functional theory, Electronic structure, Real-space, Finite-differences, Computer software, QA76.75-76.765
وصف الملف: electronic resource
-
2دورية أكاديمية
المؤلفون: Qimen Xu, Abhiraj Sharma, Phanish Suryanarayana
المصدر: SoftwareX, Vol 11, Iss , Pp - (2020)
مصطلحات موضوعية: Kohn–Sham, Density Functional Theory, Electronic structure, Real-space, Matlab, Computer software, QA76.75-76.765
وصف الملف: electronic resource
-
3دورية أكاديمية
المؤلفون: Qimen Xu, Suryanarayana, Phanish, Pask, John E.
المصدر: Journal of Chemical Physics; 9/7/2018, Vol. 149 Issue 9, p1-6, 6p
مصطلحات موضوعية: ELECTRONIC structure, HAMILTONIAN systems, SUBSPACES (Mathematics), ATOMS, ATOMIC structure
-
4
المؤلفون: Rajendra R. Zope, Carlos Diaz, Qimen Xu, Phanish Suryanarayana, Tunna Baruah, John E. Pask
المصدر: The Journal of chemical physics. 154(8)
مصطلحات موضوعية: Physics, Condensed Matter - Materials Science, 010304 chemical physics, Gaussian, General Physics and Astronomy, 010402 general chemistry, Space (mathematics), 01 natural sciences, 0104 chemical sciences, Computational physics, symbols.namesake, Atomic orbital, Physics - Chemical Physics, Ionization, 0103 physical sciences, Convergence (routing), Physics::Atomic and Molecular Clusters, symbols, Physical and Theoretical Chemistry, Scaling, Fermi Gamma-ray Space Telescope
-
5
المؤلفون: Qimen Xu, Xin Jing, Boqin Zhang, John E. Pask, Phanish Suryanarayana
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics - Chemical Physics, General Physics and Astronomy, FOS: Physical sciences, Physical and Theoretical Chemistry, Computational Physics (physics.comp-ph), Physics - Computational Physics
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f6606b724d47265c2e774aacefd3d7b7
-
6
-
7
المؤلفون: Andrew J. Medford, Benjamin M. Comer, Edmond Chow, Abhiraj Sharma, John E. Pask, Qimen Xu, Phanish Suryanarayana, Hua Huang
المصدر: SoftwareX, Vol 15, Iss, Pp 100709-(2021)
مصطلحات موضوعية: Electronic structure, Kohn–Sham, Real-space, Plane wave, Ab initio, Kohn–Sham equations, FOS: Physical sciences, Space (mathematics), 01 natural sciences, QA76.75-76.765, 03 medical and health sciences, Finite-differences, 0103 physical sciences, Computer software, 010306 general physics, 030304 developmental biology, Physics, 0303 health sciences, Condensed Matter - Materials Science, Finite difference, Materials Science (cond-mat.mtrl-sci), Computational Physics (physics.comp-ph), Computer Science Applications, Computational physics, Density functional theory, Physics - Computational Physics, Software, Order of magnitude
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f709b0e22419b459d1ed6cae2bf26e0e
-
8
المؤلفون: Shashikant Kumar, Phanish Suryanarayana, Qimen Xu
المصدر: Chemical Physics Letters. 739:136983
مصطلحات موضوعية: Condensed Matter - Materials Science, Preconditioner, Linear system, Isotropy, MathematicsofComputing_NUMERICALANALYSIS, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, General Physics and Astronomy, Field (mathematics), 02 engineering and technology, Rational function, Computational Physics (physics.comp-ph), 010402 general chemistry, 021001 nanoscience & nanotechnology, Space (mathematics), 01 natural sciences, 0104 chemical sciences, Frequency domain, Applied mathematics, Density functional theory, Physical and Theoretical Chemistry, 0210 nano-technology, Physics - Computational Physics, Mathematics
-
9
المؤلفون: John E. Pask, Phanish Suryanarayana, Qimen Xu
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics, Condensed Matter - Materials Science, 010304 chemical physics, Mathematical analysis, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, General Physics and Astronomy, Basis function, Electronic structure, Computational Physics (physics.comp-ph), 01 natural sciences, symbols.namesake, Physics - Chemical Physics, 0103 physical sciences, symbols, Projection method, Physical and Theoretical Chemistry, 010306 general physics, Hamiltonian (quantum mechanics), Physics - Computational Physics, Subspace topology
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::202e27818df94abcf85a61796ad30c98
http://arxiv.org/abs/1804.10665