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1
المؤلفون: Paul A. Johnson, Paul W. Ayers, Stijn De Baerdemacker, Peter A. Limacher, Dimitri Van Neck
المصدر: Computational and Theoretical Chemistry. 1212:113718
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics - Chemical Physics, FOS: Physical sciences, Physical and Theoretical Chemistry, Condensed Matter Physics, Biochemistry
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2
المصدر: SciPost Chemistry. 1
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics, Strongly Correlated Electrons (cond-mat.str-el), 010304 chemical physics, FOS: Physical sciences, chemistry.chemical_element, Molecular systems, Quantum number, 01 natural sciences, Symmetry (physics), Condensed Matter - Strongly Correlated Electrons, Neon, chemistry, Unpaired electron, Seniority (financial), Physics - Chemical Physics, Quantum mechanics, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Tensor, 010306 general physics, Wave function
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3
المؤلفون: Stijn De Baerdemacker, Paul A. Johnson, Patrick Bultinck, Marianne Gratton, Laurie Carrier, Samuel Cloutier, Charles-Émile Fecteau, Paul W. Ayers, Dimitri Van Neck, Peter A. Limacher, Frédéric Berthiaume
المصدر: JOURNAL OF CHEMICAL PHYSICS
مصطلحات موضوعية: General Physics and Astronomy, FOS: Physical sciences, 010402 general chemistry, 01 natural sciences, Schrödinger equation, symbols.namesake, Condensed Matter - Strongly Correlated Electrons, Quantum mechanics, Physics - Chemical Physics, 0103 physical sciences, Physical and Theoretical Chemistry, Physics::Chemical Physics, Wave function, Ansatz, Chemical Physics (physics.chem-ph), 010304 chemical physics, Geminal, Electronic correlation, Strongly Correlated Electrons (cond-mat.str-el), Configuration interaction, 0104 chemical sciences, Chemistry, Physics and Astronomy, symbols, Ground state, Hamiltonian (quantum mechanics)
وصف الملف: application/pdf
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4Academic Journal
المصدر: CHIMIA, Vol 64, Iss 5 (2010)
مصطلحات موضوعية: Chemical information, Quality assessment, Römpp online, Student survey, Wikipedia, Chemistry, QD1-999
وصف الملف: electronic resource
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5
المؤلفون: Paul A. Johnson, Stijn De Baerdemacker, Peter A. Limacher, Taewon David Kim, Patrick Bultinck, Farnaz Heidar-Zadeh, Paul W. Ayers, Michael Richer, Ramón Alain Miranda-Quintana, Dimitri Van Neck
المصدر: COMPUTATIONAL AND THEORETICAL CHEMISTRY
مصطلحات موضوعية: REDUCED, DIATOMIC-MOLECULES, SEPARATED PAIR APPROXIMATION, Antisymmetrized product of geminals, 01 natural sciences, Biochemistry, CONFIGURATION-INTERACTION METHOD, Many-body problem, Theoretical physics, Quantum mechanics, 0103 physical sciences, Composite quantum particles, ANTISYMMETRIZED PRODUCT, NONORTHOGONAL GEMINALS, GENERALIZED, Physics::Chemical Physics, Physical and Theoretical Chemistry, 010306 general physics, Wave function, Boson, 010304 chemical physics, Geminal, QUANTUM-MECHANICS, Chemistry, Electron pair, Antisymmetrized geminal power, Condensed Matter Physics, Physics and Astronomy, quasiparticles, Product (mathematics), Symmetry breaking and restoration, ELECTRON CORRELATION, Noncanonical, COMPOSITE-PARTICLES, MANY-BODY PROBLEM, DENSITY-MATRICES
وصف الملف: application/pdf
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6
المؤلفون: Peter A. Limacher, Ahmed A. K. Mohammed, Paul W. Ayers
المصدر: Chemical Physics Letters. 682:160-167
مصطلحات موضوعية: 010304 chemical physics, Field (physics), Chemistry, Analytical chemistry, General Physics and Astronomy, Hyperpolarizability, Richardson extrapolation, Field strength, 010402 general chemistry, 01 natural sciences, Molecular physics, 0104 chemical sciences, Finite field, Electric field, Molecular descriptor, 0103 physical sciences, Molecule, Physical and Theoretical Chemistry
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7
المصدر: The Journal of Physical Chemistry A. 121:5313-5323
مصطلحات موضوعية: 010304 chemical physics, Field (physics), Distribution (number theory), Chemistry, Hyperpolarizability, Function (mathematics), Rational function, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Geometric progression, Finite field, Polarizability, Computational chemistry, 0103 physical sciences, Applied mathematics, Physical and Theoretical Chemistry
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8
المؤلفون: Peter A. Limacher
المصدر: J. Chem. Theory Comput.
مصطلحات موضوعية: Quadratic growth, Physics, 010304 chemical physics, Double ionization, Perturbation (astronomy), 01 natural sciences, Dissociation (chemistry), Computer Science Applications, Fock space, Operator (computer programming), Quantum mechanics, 0103 physical sciences, Physical and Theoretical Chemistry, 010306 general physics, Wave function, Scaling
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9
المؤلفون: Peter A. Limacher, Wim Klopper
المصدر: Chemphyschem : a European journal of chemical physics and physical chemistry. 18(23)
مصطلحات موضوعية: Quantitative Biology::Biomolecules, Chemistry, Hydrogen bond, Binding energy, Intermolecular force, Ab initio, 02 engineering and technology, Nuclear magnetic resonance spectroscopy, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Computational chemistry, Molecule, Density functional theory, Physical and Theoretical Chemistry, Solvent effects, 0210 nano-technology
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10
المؤلفون: Paul A. Johnson, Peter A. Limacher, Matthew Chan, Toon Verstraelen, Paweł Tecmer, Paul W. Ayers, Katharina Boguslawski
المصدر: Journal of Physical Chemistry a
مصطلحات موضوعية: 010304 chemical physics, Geminal, Chemistry, Antisymmetric relation, Experimental data, 010402 general chemistry, 01 natural sciences, Quantum chemistry, Diatomic molecule, 0104 chemical sciences, Ab initio quantum chemistry methods, Quantum mechanics, 0103 physical sciences, Statistical physics, Physics::Chemical Physics, Physical and Theoretical Chemistry, Wave function
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11
المؤلفون: Peter A. Limacher, Benoît Champagne, Ahmed A. K. Mohammed
المصدر: Journal of Computational Chemistry. 34(17):1497-1507
مصطلحات موضوعية: Computational Mathematics, Dipole, Mathematical optimization, Finite field, Orders of magnitude (time), Field (physics), Truncation error (numerical integration), Feasible region, Extrapolation, Richardson extrapolation, General Chemistry, Mathematics, Computational physics
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12
المؤلفون: Hans Peter Lüthi, Peter A. Limacher
المصدر: Wiley Interdisciplinary Reviews: Computational Molecular Science. 1:477-486
مصطلحات موضوعية: Computational Mathematics, Materials science, Materials Chemistry, Cross-conjugation, Physical and Theoretical Chemistry, Photochemistry, Biochemistry, Computer Science Applications
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13
المؤلفون: Peter A. Limacher, Paul A. Johnson, Patrick Bultinck, Paul W. Ayers, Dimitri Van Neck, Stijn De Baerdemacker
المصدر: Journal of chemical theory and computation. 9(3)
مصطلحات موضوعية: Density matrix, Geminal, Antisymmetric relation, Chemistry, Electronic structure, Computer Science Applications, Schrödinger equation, symbols.namesake, Atomic orbital, Quantum mechanics, symbols, Slater determinant, Physics::Chemical Physics, Physical and Theoretical Chemistry, Wave function
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14
المؤلفون: Wim Klopper, Peter A. Limacher
المصدر: ChemPhysChem. 18:3287-3287
مصطلحات موضوعية: Crystallography, chemistry.chemical_compound, Hydrogen bond, Chemistry, Supramolecular chemistry, Molecule, Cover (algebra), Self-assembly, Nuclear magnetic resonance spectroscopy, Physical and Theoretical Chemistry, Cyanuric acid, Wedge (geometry), Atomic and Molecular Physics, and Optics
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15
المؤلفون: Paul A. Johnson, Patrick Bultinck, Dimitri Van Neck, Stijn De Baerdemacker, Paul W. Ayers, Taewon David Kim, Peter A. Limacher
المصدر: MOLECULAR PHYSICS
Molecular Physicsمصطلحات موضوعية: BERYLLIUM ATOM, Biophysics, orbital optimisation, MCSCF METHODS, Electron, MOLECULES, Atomic orbital, static electron correlation, SYSTEMS, NONORTHOGONAL GEMINALS, Physical and Theoretical Chemistry, Wave function, Molecular Biology, Open shell, EQUATIONS, Chemistry, Configuration interaction, Condensed Matter Physics, Diatomic molecule, MODEL, Physics and Astronomy, EXCITED-STATES, Non-bonding orbital, Excited state, closed-shell wavefunction, doubly-occupied configuration interaction, Atomic physics, MATRIX
وصف الملف: application/pdf
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16
المؤلفون: Stijn De Baerdemacker, Paul W. Ayers, Dimitri Van Neck, Peter A. Limacher, Patrick Bultinck, Paul A. Johnson
المصدر: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Physical Chemistry Chemical Physicsمصطلحات موضوعية: Electronic correlation, Antisymmetric relation, General Physics and Astronomy, Perturbation (astronomy), Bond breaking, Full configuration interaction, Chemistry, MOLECULES, STATES, Biorthogonal system, Quantum mechanics, SINGLET, Statistical physics, Perturbation theory (quantum mechanics), Physical and Theoretical Chemistry, Physics::Chemical Physics, Wave function, MATRIX, WAVE-FUNCTION
وصف الملف: application/pdf
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17
المصدر: The Journal of organic chemistry. 78(24)
مصطلحات موضوعية: Work (thermodynamics), chemistry.chemical_compound, Chain (algebraic topology), chemistry, Computational chemistry, Polarizability, Organic Chemistry, Substitution (logic), Substituent, Surface modification, Absolute value, Conjugated system
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18
المؤلفون: Peter A. Limacher
المصدر: The Journal of Physical Chemistry
مصطلحات موضوعية: Physics, 010304 chemical physics, Numerical analysis, General Physics and Astronomy, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, symbols.namesake, Computational chemistry, 0103 physical sciences, Transition density, symbols, Statistical physics, Physical and Theoretical Chemistry, Ground state, Hamiltonian (quantum mechanics), Wave function
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19
المؤلفون: Sebastian Wouters, Peter A. Limacher, Paul W. Ayers, Dimitri Van Neck
المصدر: Networking tensor networks : many-body systems and simulations, Posters
The Journal of chemical physicsمصطلحات موضوعية: Chemical Physics (physics.chem-ph), 010304 chemical physics, Particle number, Strongly Correlated Electrons (cond-mat.str-el), Ab initio, General Physics and Astronomy, FOS: Physical sciences, Invariant (physics), 01 natural sciences, Matrix multiplication, Chemistry, Condensed Matter - Strongly Correlated Electrons, Finite field, Ab initio quantum chemistry methods, Quantum mechanics, Physics - Chemical Physics, 0103 physical sciences, Thermodynamic limit, Physical and Theoretical Chemistry, 010306 general physics, Matrix product state
وصف الملف: application/pdf
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20
المؤلفون: Hans Peter Lüthi, Stefano Borini, Peter A. Limacher
المصدر: The journal of physical chemistry. A. 114(5)
مصطلحات موضوعية: chemistry.chemical_classification, Double bond, Molecular Structure, Polyynes, Conjugated system, Acceptor, Bond length, Polyacetylene, chemistry.chemical_compound, chemistry, Chain (algebraic topology), Models, Chemical, Chemical physics, Computational chemistry, Distortion, Density functional theory, Computer Simulation, Physical and Theoretical Chemistry