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1
المؤلفون: Jönsson, Per, Godefroid, Michel, Gaigalas, Gediminas, Ekman, Jörgen, Grumer, Jon, Li, Wenxian, Li, Jiguang, Brage, Tomas, Grant, Ian P., Bieroń, Jacek, Fischer, Charlotte Froese
المصدر: Atoms. 11(1)
مصطلحات موضوعية: angular integration, atomic properties, atomic wave function, ATOMS, configuration interaction, configuration state function, finite difference numerical methods, GRASP, multiconfigurational Dirac–Hartree–Fock, relativistic atomic structure, Naturvetenskap, Fysik, Annan fysik, Natural Sciences, Physical Sciences, Other Physics Topics
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2
المؤلفون: Li, Yanting, Li, Jinqing, Song, Changxian, Zhang, Chunyu, Si, Ran, Wang, Kai, Godefroid, Michel, Gaigalas, Gediminas, Jönsson, Per, Chen, Chongyang
المصدر: Atoms. 11(1)
مصطلحات موضوعية: relativistic self-consistent-field (SCF) procedure, relativistic configuration interaction, configuration state function generators, performance tests, code improvements
وصف الملف: electronic
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3Academic Journal
المؤلفون: Jonsson, Per, Gedefroid, Michel, Gaigalas, Gediminas, Ekman, Jörgen, Grumer, Jon, Li, Wenxian, Li, Jiguang, Brage, Tomas, Grant, Ian, Bieron, Jacek, Fischer, Charlotte Froese
المصدر: Atoms., Basel : MDPI, 2023, vol. 11, iss. 1, art. no. 7, p. [1-44]. ; eISSN 2218-2004
مصطلحات موضوعية: ATOMS, GRASP, atomic properties, relativistic atomic structure, multiconfigurational Dirac– Hartree–Fock, finite difference numerical methods, angular integration, configuration interaction, atomic wave function, configuration state function
وصف الملف: application/pdf
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4
المؤلفون: Yanting Li, Jinqing Li, Changxian Song, Chunyu Zhang, Ran Si, Kai Wang, Michel Godefroid, Gediminas Gaigalas, Per Jönsson, Chongyang Chen
المصدر: Atoms, Basel : MDPI, 2023, vol. 11, iss. 1, art. no. 12, p. [1-25]
Atoms; Volume 11; Issue 1; Pages: 12مصطلحات موضوعية: Nuclear and High Energy Physics, Condensed Matter Physics, relativistic self-consistent-field (SCF) procedure, relativistic configuration interaction, configuration state function generators, performance tests, code improvements, Atomic and Molecular Physics, and Optics
وصف الملف: application/pdf
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5Academic Journal
المؤلفون: Polyak, I, Bearpark, MJ, Robb, MA
المساهمون: Engineering & Physical Science Research Council (EPSRC)
مصطلحات موضوعية: Science & Technology, Physical Sciences, Chemistry, Physical, Mathematics, Interdisciplinary Applications, Physics, Atomic, Molecular & Chemical, configuration interaction, configuration state function, quantum chemistry, spin density, unitary group approach, MANY-ELECTRON PROBLEM, PERTURBATION-THEORY CALCULATIONS, GROUP THEORETICAL APPROACH, ADJOINT TENSOR-OPERATORS, MATRIX-ELEMENTS, DEPENDENT OPERATORS, EXPLICIT FORMULAS, GENERAL FORMALISM, MOLECULAR-SYSTEMS, U(2N) GENERATORS, 0306 Physical Chemistry (Incl. Structural), 0307 Theoretical And Computational Chemistry, Chemical Physics
Relation: International Journal of Quantum Chemistry; http://hdl.handle.net/10044/1/54352; EP/I032517/1
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6
المؤلفون: Ron Shepard, Gergely Gidofalvi, Scott R. Brozell
المصدر: Journal of Computational Chemistry. 41:129-135
مصطلحات موضوعية: Discrete mathematics, Dense graph, 010304 chemical physics, General Chemistry, 010402 general chemistry, Quantum number, 01 natural sciences, Spin quantum number, 0104 chemical sciences, Computational Mathematics, Integer, Unitary group, 0103 physical sciences, Homogeneous space, Wave function, Configuration state function, Mathematics
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7
المؤلفون: Ron Shepard, Scott R. Brozell
المصدر: Molecular Physics. 117:2374-2390
مصطلحات موضوعية: Hamiltonian matrix, 010304 chemical physics, Physics::Medical Physics, Mathematical analysis, Biophysics, Electronic structure, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Vibronic coupling, Arbitrarily large, RDM, Atomic orbital, Unitary group, 0103 physical sciences, Physical and Theoretical Chemistry, Molecular Biology, Configuration state function, Mathematics
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8
المؤلفون: Frank Neese, Vijay Gopal Chilkuri
المصدر: Journal of computational chemistryREFERENCES. 42(14)
مصطلحات موضوعية: Theoretical computer science, 010304 chemical physics, Basis (linear algebra), Series (mathematics), Computer science, General Chemistry, Configuration interaction, 010402 general chemistry, 01 natural sciences, Full configuration interaction, 0104 chemical sciences, Computational Mathematics, Tree (data structure), Operator (computer programming), 0103 physical sciences, Algorithm design, Configuration state function
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9
المؤلفون: B. Scott Fales, Todd J. Martínez
المصدر: The Journal of chemical physics. 152(16)
مصطلحات موضوعية: Speedup, 010304 chemical physics, Basis (linear algebra), General Physics and Astronomy, Configuration interaction, 010402 general chemistry, 01 natural sciences, Full configuration interaction, 0104 chemical sciences, Transformation (function), 0103 physical sciences, Slater determinant, Applied mathematics, Physical and Theoretical Chemistry, Configuration state function, Mathematics, Euclidean vector
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10
المؤلفون: Hiroshi Tatewaki, Shigeyoshi Yamamoto
المصدر: Theoretical Chemistry Accounts. 139
مصطلحات موضوعية: Physics, 010304 chemical physics, Ionic bonding, Formal charge, Electron, Configuration interaction, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Ion, Excited state, 0103 physical sciences, Physical and Theoretical Chemistry, Atomic physics, Ground state, Configuration state function
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11
المؤلفون: Mojtaba Alipour
المصدر: Journal of Computational Chemistry. 39:1508-1516
مصطلحات موضوعية: Physics, Work (thermodynamics), 010304 chemical physics, Charge density, General Chemistry, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Moment (mathematics), Computational Mathematics, Dipole, Quality (physics), 0103 physical sciences, Range (statistics), Density functional theory, Statistical physics, Configuration state function
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12Academic Journal
المؤلفون: S. Fritzsche
المساهمون: The Pennsylvania State University CiteSeerX Archives
مصطلحات موضوعية: angular momentum, complex atom, configuration state function, jj−coupling
وصف الملف: application/pdf
Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.262.3387; http://arxiv.org/pdf/physics/0405156v1.pdf
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13Academic Journal
المؤلفون: Gaigalas, Gediminas
المصدر: Computer physics communications, Amsterdam : Elsevier Science BV, 2020, vol. 247, art. no. 106960, p. [1-9] ; ISSN 0010-4655 ; eISSN 1879-2944
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14
المؤلفون: Michael A. Robb, Michael J. Bearpark, Iakov Polyak
المساهمون: Engineering & Physical Science Research Council (EPSRC)
مصطلحات موضوعية: Mathematics, Interdisciplinary Applications, ADJOINT TENSOR-OPERATORS, 0306 Physical Chemistry (Incl. Structural), 0307 Theoretical And Computational Chemistry, Physics, Atomic, Molecular & Chemical, 010402 general chemistry, 01 natural sciences, Unitary state, PERTURBATION-THEORY CALCULATIONS, configuration interaction, quantum chemistry, MATRIX-ELEMENTS, Quantum mechanics, Unitary group, 0103 physical sciences, MANY-ELECTRON PROBLEM, U(2N) GENERATORS, MOLECULAR-SYSTEMS, Physical and Theoretical Chemistry, GROUP THEORETICAL APPROACH, GENERAL FORMALISM, Science & Technology, Chemical Physics, 010304 chemical physics, Chemistry, Physical, Physics, Eigenfunction, Configuration interaction, Condensed Matter Physics, unitary group approach, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Chemistry, spin density, Physical Sciences, Generator matrix, Configuration space, Configuration state function, Group theory, Mathematics, configuration state function, DEPENDENT OPERATORS, EXPLICIT FORMULAS
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15
المؤلفون: Per Jönsson, C. Froese Fischer, Jacek Bieron, Gediminas Gaigalas
مصطلحات موضوعية: Discrete mathematics, Sequence, Hamiltonian matrix, Fortran, Minor (linear algebra), General Physics and Astronomy, 01 natural sciences, 010305 fluids & plasmas, Hardware and Architecture, 0103 physical sciences, 010306 general physics, Configuration state function, computer, Eigenvalues and eigenvectors, Mathematics, Integer (computer science), computer.programming_language, Compile time
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16
المؤلفون: J. Rzadkiewicz, Karol Kozioł
المصدر: Physical Review A. 98
مصطلحات موضوعية: Physics, Electronic correlation, Dirac (software), Hartree–Fock method, chemistry.chemical_element, Configuration interaction, Tungsten, 01 natural sciences, 010305 fluids & plasmas, Ion, chemistry, Atomic orbital, 0103 physical sciences, Atomic physics, 010306 general physics, Configuration state function
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17
المؤلفون: Gediminas Gaigalas
المصدر: Computer Physics Communications. 247:106960
مصطلحات موضوعية: Physics, Discrete mathematics, Coupling, Basis (linear algebra), GRASP, General Physics and Astronomy, Function (mathematics), 01 natural sciences, 010305 fluids & plasmas, Transformation matrix, Transformation (function), Hardware and Architecture, 0103 physical sciences, 010306 general physics, Open shell, Configuration state function
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18
المؤلفون: Giovanni Li Manni, Chad E. Hoyer, Rebecca K. Carlson, Laura Gagliardi, Donald G. Truhlar, Junwei Lucas Bao
المصدر: Accounts of chemical research. 50(1)
مصطلحات موضوعية: Actinide chemistry, 010304 chemical physics, Chemistry, General Medicine, General Chemistry, Electronic structure, 010402 general chemistry, 01 natural sciences, Potential energy, Transition state, 0104 chemical sciences, Excited state, 0103 physical sciences, Density functional theory, Physics::Chemical Physics, Bond energy, Atomic physics, Configuration state function
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19
المؤلفون: Asimina Papoulia, Jörgen Ekman, Per Jönsson
المصدر: Astronomy & Astrophysics. 621:A16
مصطلحات موضوعية: Physics, Valence (chemistry), 010504 meteorology & atmospheric sciences, Electronic correlation, Atomic Physics (physics.atom-ph), FOS: Physical sciences, Astronomy and Astrophysics, Configuration interaction, 01 natural sciences, Physics - Atomic Physics, Dipole, Space and Planetary Science, Naturvetenskap, 0103 physical sciences, atomic data, Radiative transfer, Atomic physics, Natural Sciences, Spectroscopy, 010303 astronomy & astrophysics, Configuration state function, Excitation, 0105 earth and related environmental sciences
وصف الملف: application/pdf
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20
المؤلفون: Ron Shepard, Gergely Gidofalvi, Paul D. Hovland
المصدر: International Journal of Quantum Chemistry. 110:2938-2948
مصطلحات موضوعية: Mathematical analysis, Expectation value, Electronic structure, Condensed Matter Physics, Atomic and Molecular Physics, and Optics, Nonlinear system, symbols.namesake, Computational chemistry, symbols, Physical and Theoretical Chemistry, Hamiltonian (quantum mechanics), Wave function, Configuration state function, Scaling, Quantum, Mathematics