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1. Electronic structure calculations for solids and molecules
: theory and computational methods
by Kohanoff, Jorge José
2006, Condensed matter physics, nanoscience and mesoscopic physics, ISBN 0521815916, Volume 9780521815918, xxii, 348
Density functionals | Condensed matter | Computer simulation | Hartree-Fock approximation
Book
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2. Full Text Corrected small basis set Hartree‐Fock method for large systems
by Sure, Rebecca and Grimme, Stefan
Journal of computational chemistry, ISSN 0192-8651, 07/2013, Volume 34, Issue 19, pp. 1672 - 1685
protein structures | supramolecular systems | counterpoise‐correction | London dispersion energy | noncovalent interactions | Hartree‐Fock | Hartree-Fock | counterpoise-correction | Models, Molecular | Small Molecule Libraries - chemistry | Thermodynamics | Protein Conformation | Quantum Theory | Proteins - chemistry | Index Medicus
Journal Article
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3. Full Text Sparse maps - A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
by Riplinger, Christoph and Pinski, Peter and Becker, Ute and Valeev, Edward F and Neese, Frank
The Journal of chemical physics, ISSN 0021-9606, 01/2016, Volume 144, Issue 2, pp. 024109 - 024109
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Linear systems | Electronic structure | Maps | Basis functions | Mathematical analysis | Clusters | Infrastructure | Integral transforms | Black boxes | CORRECTIONS | EXCITATION | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS | INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY | ATOMIC CLUSTERS | COMPARATIVE EVALUATIONS | ELECTRONIC STRUCTURE | THREE-DIMENSIONAL CALCULATIONS | MOLECULES | HARTREE-FOCK METHOD | MOLECULAR CLUSTERS | NONLINEAR PROBLEMS | ATOMS | AMPLITUDES | GAIN | INTEGRAL TRANSFORMATIONS | ELECTRON CORRELATION
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4. Hartree-Fock-Slater method for materials science
: the DV-X alpha method for design and characterization of materials
by Adachi, H. (Hirohiko) and Mukoyama, T. (Takeshi) and Kawai, J. (Jun)
2006, 1st ed., Springer series in materials science, ISBN 3540245081, Volume 84, xvi, 240
Hartree-Fock approximation | Materials
Book
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5. Full Text Implementation of divide‐and‐conquer method including Hartree‐Fock exchange interaction
by Akama, Tomoko and Kobayashi, Masato and Nakai, Hiromi
Journal of computational chemistry, ISSN 0192-8651, 09/2007, Volume 28, Issue 12, pp. 2003 - 2012
Hartree‐Fock exchange | local energy | divide‐and‐conquer method | linear‐scaling method | density of states | Hartree-Fock exchange | Density of states | Divide-and-conquer method | Linear-scaling method | Local energy | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology
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6. Full Text Comment on “Depurated inversion method for orbital‐specific exchange potentials”
by Cinal, Marek
International journal of quantum chemistry, ISSN 0020-7608, 02/2020, Volume 120, Issue 4, p. n/a
Hartree–Fock method | orbital‐specific exchange potentials | Mathematics, Interdisciplinary Applications | Quantum Science & Technology | Physical Sciences | Chemistry | Mathematics | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
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7. Full Text Excited-state populations in the multiconfiguration time-dependent Hartree-Fock method
by Lötstedt, Erik and Szidarovszky, Tamás and Faisal, Farhad H M and Kato, Tsuyoshi and Yamanouchi, Kaoru
Journal of physics. B, Atomic, molecular, and optical physics, ISSN 0953-4075, 05/2020, Volume 53, Issue 10, p. 105601
time-dependent many-particle dynamics | strong-field excitation | multiconfiguration time-dependent Hartree-Fock | Optics | Physical Sciences | Physics, Atomic, Molecular & Chemical | Physics | Science & Technology
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8. Full Text Two-photon ionization of helium studied with the multiconfigurational time-dependent Hartree-Fock method
by Hochstuhl, David and Bonitz, Michael
The Journal of chemical physics, ISSN 0021-9606, 02/2011, Volume 134, Issue 8, pp. 084106 - 084106-10
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Physics - Atomic Physics | APPROXIMATIONS | CALCULATION METHODS | PHOTONS | INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY | EQUATIONS | COMPARATIVE EVALUATIONS | ENERGY LEVELS | PHOTON-ATOM COLLISIONS | BOSONS | COLLISIONS | ATOM COLLISIONS | ELEMENTS | CONFIGURATION INTERACTION | WAVE EQUATIONS | ATOMS | TIME DEPENDENCE | HELIUM | RARE GASES | DIFFERENTIAL EQUATIONS | FLUIDS | GASES | SCHROEDINGER EQUATION | ATOMIC AND MOLECULAR PHYSICS | PHOTON COLLISIONS | EVALUATION | SIMULATION | NONMETALS | ELEMENTARY PARTICLES | HARTREE-FOCK METHOD | PHOTOIONIZATION | MASSLESS PARTICLES | PARTIAL DIFFERENTIAL EQUATIONS | IONIZATION | GROUND STATES
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9. Full Text Convergence of surface energy calculations for various methods: (0 0 1) hematite as benchmark
by Scholz, David and Stirner, Thomas
Journal of physics. Condensed matter, ISSN 0953-8984, 3/2019, Volume 31, Issue 19, pp. 195901 - 195901
hematite | Hartree-Fock simulation | surface energy | convergence | Physics, Condensed Matter | Physical Sciences | Physics | Science & Technology
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10. Full Text Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
by Dreuw, Andreas and Head-Gordon, Martin
Chemical reviews, ISSN 0009-2665, 11/2005, Volume 105, Issue 11, pp. 4009 - 4037
Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Density functionals | Molecular orbitals | Research | Hartree-Fock approximation | Analysis | Excited state chemistry | Molecules
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11. The Hartree-Fock method for atoms
: a numerical approach
by Froese Fischer, Charlotte, 1929
1977, ISBN 047125990X, xi, 308
Atoms | Hartree-Fock approximation
Book
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12. Full Text A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy
by Roemelt, Michael and Maganas, Dimitrios and Debeer, Serena and Neese, Frank
The Journal of chemical physics, ISSN 0021-9606, 2013, Volume 138, Issue 20, pp. 204101 - 204101
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Transition Elements - chemistry | X-Ray Absorption Spectroscopy | Quantum Theory | Index Medicus | Absorption spectroscopy | Construction | Transition metals | Mathematical analysis | X-rays | Ground state | Configuration interaction | Excitation | TRANSITION ELEMENTS | INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY | COMPARATIVE EVALUATIONS | ELECTRONIC STRUCTURE | CONFIGURATION INTERACTION | MEAN-FIELD THEORY | HAMILTONIANS | EFFICIENCY | COPPER COMPOUNDS | OXIDATION | EXCITED STATES | NICKEL COMPOUNDS | EXCITATION | SPIN | DENSITY FUNCTIONAL METHOD | ALGEBRA | ATOMIC AND MOLECULAR PHYSICS | ABSORPTION SPECTROSCOPY | L-S COUPLING | X-RAY SPECTRA | X-RAY SPECTROSCOPY | ACCURACY | HARTREE-FOCK METHOD | TITANIUM COMPOUNDS | GROUND STATES | IRON COMPOUNDS
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