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2006, Condensed matter physics, nanoscience and mesoscopic physics, ISBN 0521815916, Volume 9780521815918, xxii, 348
Book
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
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
Journal Article
2006, 1st ed., Springer series in materials science, ISBN 3540245081, Volume 84, xvi, 240
Book
5.
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Implementation of divide‐and‐conquer method including Hartree‐Fock exchange interaction
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
Journal Article
International journal of quantum chemistry, ISSN 0020-7608, 02/2020, Volume 120, Issue 4, p. n/a
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Journal of physics. B, Atomic, molecular, and optical physics, ISSN 0953-4075, 05/2020, Volume 53, Issue 10, p. 105601
Journal Article
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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Journal of physics. Condensed matter, ISSN 0953-8984, 3/2019, Volume 31, Issue 19, pp. 195901 - 195901
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Chemical reviews, ISSN 0009-2665, 11/2005, Volume 105, Issue 11, pp. 4009 - 4037
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1977, ISBN 047125990X, xi, 308
Book
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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