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1Academic Journal
المؤلفون: Green, James D, Hele, Timothy JH
المصدر: The Journal of Chemical Physics , 160 (16) , Article 164110. (2024)
مصطلحات موضوعية: Restricted open-shell Hartree-Fock, Unrestricted Hartree-Fock, Configuration interaction, Excited state energies, Spin contamination, Light emitting diodes, Absorption spectroscopy, Oscillator strengths, Quantum computing
وصف الملف: application/pdf
Relation: https://discovery.ucl.ac.uk/id/eprint/10191856/1/164110_1_5.0191373.pdf; https://discovery.ucl.ac.uk/id/eprint/10191856/
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2Academic Journal
المؤلفون: Bosko, Ivan P, Staroverov, Viktor N
المصدر: Chemistry Publications
مصطلحات موضوعية: Restricted open-shell Hartree-Fock, Unrestricted Hartree-Fock, Density functional theory, Exchange correlation functionals, Exchange interactions, Coulomb matrix elements, Bosons, Fermions, Particle spin, Occupation number, Chemistry
وصف الملف: application/pdf
Relation: https://ir.lib.uwo.ca/chempub/308; https://ir.lib.uwo.ca/context/chempub/article/1319/viewcontent/ms_repository.pdf
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3Dissertation/ Thesis
المؤلفون: Yadav, Twinkle
المساهمون: Fink, K.
مصطلحات موضوعية: SMM, Single Molecule Magnets, Transition metal ions, Lanthanide metal ions, spin-orbit coupling, ligand field splitting, Zero-field splitting parameters, CASSCF, Restricted open-shell Hartree-Fock, Magnetic susceptibility, g-factors, pseudospin Hamiltonian, ddc:540, Chemistry & allied sciences, info:eu-repo/classification/ddc/540
وصف الملف: application/pdf
Relation: https://publikationen.bibliothek.kit.edu/1000142607; https://publikationen.bibliothek.kit.edu/1000142607/148456800; https://doi.org/10.5445/IR/1000142607
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4Academic Journal
المؤلفون: Department of Chemistry, University of Florida, Box 117200, Gainesville, FL 32611, USA ( host institution ), Bratt, Peter J. ( author ), Heathcote, Peter ( author ), Hassan, Alia ( author ), van Tol, Johann ( author ), Brunel, Louis-Claude ( author ), Schrier, Joshua ( author ), Angerhofer, Alexander ( author )
مصطلحات موضوعية: Photosynthesis, Reaction center, Primary donor, High-field EPR, g-Factor anisotropy, INDO/S intermediate neglect of differential overlap/spectroscopy, ROHF, Restricted open shell Hartree–Fock
وصف الملف: Pages 277-284
Relation: Chemical Physics; S0301-0104(03)00281-7; CHEMPH; 5122; http://ufdc.ufl.edu/LS00517239/00001
الاتاحة: https://doi.org/10.1016/S0301-0104(03)00281-7
http://ufdc.ufl.edu/LS00517239/00001 -
5
المؤلفون: John A. Gomez, Yiheng Qiu, Jinmo Zhao, Matthias Degroote, Gustavo E. Scuseria
المصدر: Physical Chemistry Chemical Physics. 19:22385-22394
مصطلحات موضوعية: Physics, 010304 chemical physics, General Physics and Astronomy, Unrestricted Hartree–Fock, 01 natural sciences, Matrix similarity, symbols.namesake, Coupled cluster, Multi-configurational self-consistent field, Quantum mechanics, Pairing, 0103 physical sciences, Restricted open-shell Hartree–Fock, symbols, Physical and Theoretical Chemistry, 010306 general physics, Wave function, Hamiltonian (quantum mechanics)
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6
المؤلفون: John C. Morrison, J. Kobus
مصطلحات موضوعية: Physics, Numerical analysis, Hartree–Fock method, Unrestricted Hartree–Fock, Domain decomposition methods, 01 natural sciences, Diatomic molecule, 010101 applied mathematics, Quantum mechanics, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Restricted open-shell Hartree–Fock, Physics::Atomic Physics, Physics::Chemical Physics, 0101 mathematics, 010306 general physics, Wave function, Post-Hartree–Fock
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7
المساهمون: Structure et Réactivité des Systèmes Moléculaires Complexes (SRSMC), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Department of Chemistry and Biochemistry [Bern], University of Bern
المصدر: International Union of Crystallography journal
International Union of Crystallography journal, International Union of Crystallography 2017, 4 (2), pp.136-146. ⟨10.1107/S2052252516019217⟩
IUCrJ
IUCrJ, Vol 4, Iss 2, Pp 136-146 (2017)مصطلحات موضوعية: Hartree product, China Keywords: electron correlation, electron correlation, 010403 inorganic & nuclear chemistry, 01 natural sciences, Biochemistry, Multi-configurational self-consistent field, Quantum mechanics, 0103 physical sciences, 540 Chemistry, [CHIM.CRIS]Chemical Sciences/Cristallography, General Materials Science, electron density, lcsh:Science, density functional theory, constrained Hartree–Fock wavefunctions, Physics, 010304 chemical physics, Electronic correlation, Edited by C-Y Su, constrained Hartree-Fock wavefunctions, Chemistry (all), Unrestricted Hartree–Fock, General Chemistry, Condensed Matter Physics, Research Papers, X-ray constrained wavefunctions, 0104 chemical sciences, X-ray diffraction, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Coupled cluster, Materials Science (all), Restricted open-shell Hartree–Fock, Slater determinant, 570 Life sciences, biology, lcsh:Q, Post-Hartree–Fock, Sun Yat-Sen University
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8
المؤلفون: Boris N. Plakhutin
المصدر: Journal of Structural Chemistry. 55:1001-1009
مصطلحات موضوعية: Physics, Electron, Inorganic Chemistry, symbols.namesake, Atomic orbital, Variational principle, Quantum electrodynamics, Materials Chemistry, Restricted open-shell Hartree–Fock, symbols, Physical and Theoretical Chemistry, Hamiltonian (quantum mechanics), Open shell, Mathematical physics
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9
المؤلفون: Moritz Braun
المصدر: Journal of Computational and Applied Mathematics. 270:100-108
مصطلحات موضوعية: Helium atom, Applied Mathematics, Hartree–Fock method, Unrestricted Hartree–Fock, Molecular physics, Finite element method, Computational Mathematics, chemistry.chemical_compound, chemistry, Atom, Physics::Atomic and Molecular Clusters, Restricted open-shell Hartree–Fock, Physics::Atomic Physics, Physics::Chemical Physics, Open shell, Post-Hartree–Fock, Mathematics
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10
المصدر: Chemical Physics Letters. 603:67-74
مصطلحات موضوعية: Quantitative Biology::Biomolecules, Dimer, Radical, Ab initio, General Physics and Astronomy, Unrestricted Hartree–Fock, Spectral line, chemistry.chemical_compound, chemistry, Computational chemistry, Restricted open-shell Hartree–Fock, Physics::Chemical Physics, Physical and Theoretical Chemistry, Fragment molecular orbital, Second derivative
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11
المؤلفون: Yu. B. Malykhanov, M. V. Gorshunov
المصدر: Journal of Applied Spectroscopy. 80:631-636
مصطلحات موضوعية: Condensed Matter::Quantum Gases, Physics, Nuclear Theory, Hartree–Fock method, Unrestricted Hartree–Fock, Condensed Matter Physics, Ion, Fock matrix, Ionization, Atom, Physics::Atomic and Molecular Clusters, Restricted open-shell Hartree–Fock, Physics::Atomic Physics, Atomic physics, Spectroscopy, Post-Hartree–Fock
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12
المؤلفون: Masahiko Nakano, Hiromi Nakai, Junji Seino
المصدر: International Journal of Quantum Chemistry. 117
مصطلحات موضوعية: Physics, 010304 chemical physics, Quaternion algebra, Field (physics), Nuclear Theory, Hartree–Fock method, Unrestricted Hartree–Fock, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Atomic and Molecular Physics, and Optics, Symmetry (physics), 0104 chemical sciences, T-symmetry, Quantum mechanics, Quantum electrodynamics, 0103 physical sciences, Restricted open-shell Hartree–Fock, Physical and Theoretical Chemistry, Open shell
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13
المؤلفون: Noboru Takigawa, Kouhei Washiyama
المصدر: Fundamentals of Nuclear Physics ISBN: 9784431553779
مصطلحات موضوعية: Physics, Classical mechanics, Mean field theory, Nuclear Theory, Møller–Plesset perturbation theory, Nuclear structure, Hartree–Fock method, Restricted open-shell Hartree–Fock, Nuclear force, Nucleon, Harmonic oscillator
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14
المؤلفون: J. B. Ketterson
المصدر: The Physics of Solids
مصطلحات موضوعية: Physics, Orbital-free density functional theory, Multi-configurational self-consistent field, Quantum mechanics, Møller–Plesset perturbation theory, Restricted open-shell Hartree–Fock, Hartree–Fock method, Unrestricted Hartree–Fock, Post-Hartree–Fock, Hybrid functional
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15
المصدر: Theoretical Chemistry Accounts. 135
مصطلحات موضوعية: Physics, Electron density, 010304 chemical physics, Unrestricted Hartree–Fock, Kohn–Sham equations, Context (language use), Electron, 01 natural sciences, Hybrid functional, Quantum mechanics, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Restricted open-shell Hartree–Fock, Physical and Theoretical Chemistry, 010306 general physics, Basis set
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16
المؤلفون: M. V. Gorshunov, Yu. B. Malykhanov, S. V. Evseev
المصدر: Journal of Applied Spectroscopy. 79:1-10
مصطلحات موضوعية: Chemistry, Nuclear Theory, Hartree–Fock method, Unrestricted Hartree–Fock, Condensed Matter Physics, Atomic orbital, Fock matrix, Atomic theory, Quantum mechanics, Atom, Physics::Atomic and Molecular Clusters, Restricted open-shell Hartree–Fock, Physics::Atomic Physics, Physics::Chemical Physics, Atomic physics, Open shell, Spectroscopy
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17
المؤلفون: Yoko Ogawa, Hiroshi Toki
المصدر: Annals of Physics. 326:2039-2052
مصطلحات موضوعية: Many-body problem, Physics, Variational principle, Quantum mechanics, Nuclear Theory, Restricted open-shell Hartree–Fock, Hartree–Fock method, General Physics and Astronomy, Unrestricted Hartree–Fock, Physics::Atomic Physics, Tensor, Wave function, Post-Hartree–Fock
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18
المؤلفون: Iris Theophilou, S. Thanos
المصدر: Molecular Physics. 109:1495-1502
مصطلحات موضوعية: Hartree product, Mathematics::Operator Algebras, Chemistry, Biophysics, Unrestricted Hartree–Fock, Condensed Matter Physics, Diatomic molecule, Spin contamination, Quantum mechanics, Restricted open-shell Hartree–Fock, Slater determinant, Energy level, Physical and Theoretical Chemistry, Molecular Biology, Spin-½
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19
المؤلفون: Frederick R. Manby, Martin Schütz, Stefan Loibl
المصدر: Molecular Physics. 108:477-485
مصطلحات موضوعية: Chemistry, Biophysics, Hartree–Fock method, Molecular orbital theory, Condensed Matter Physics, Coupled cluster, Linear combination of atomic orbitals, Multi-configurational self-consistent field, Quantum mechanics, Restricted open-shell Hartree–Fock, Molecular orbital, Physical and Theoretical Chemistry, Atomic physics, Molecular Biology, Basis set
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20
المؤلفون: Hiromi Nakai, Tsuguki Touma, Masato Kobayashi
المصدر: Chemical Physics Letters. 485:247-252
مصطلحات موضوعية: Hartree product, Chemistry, Nuclear Theory, Hartree–Fock method, General Physics and Astronomy, Unrestricted Hartree–Fock, Fock matrix, Polarizability, Multi-configurational self-consistent field, Quantum mechanics, Quantum electrodynamics, Restricted open-shell Hartree–Fock, Physics::Atomic Physics, Physical and Theoretical Chemistry, Post-Hartree–Fock