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Chemical bonds --- Hartree-Fock approximation --- Self-consistent field theory
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Atoms --- -Hartree-Fock approximation --- Self-consistent field theory --- SCF theory --- Self consistent field method --- Self consistent fields --- Field theory (Physics) --- Molecular orbitals --- Hartree approximation --- Hartree-Fock-Slater approximation --- Approximation theory --- Energy-band theory of solids --- Many-body problem --- Chemistry, Physical and theoretical --- Matter --- Stereochemistry --- Mathematical models --- Constitution --- Hartree-Fock approximation. --- Self-consistent field theory. --- Mathematical models. --- Hartree-Fock approximation
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Hartree-Fock approximation --- -Nuclear shell theory --- -Self-consistent field theory --- -539.1 --- SCF theory --- Self consistent field method --- Self consistent fields --- Field theory (Physics) --- Molecular orbitals --- Nuclear shell models --- Nuclear shell structure --- Shell models (Nuclear physics) --- Nuclear models --- Hartree approximation --- Hartree-Fock-Slater approximation --- Approximation theory --- Atoms --- Energy-band theory of solids --- Many-body problem --- Self-consistent field theory --- Congresses --- Nuclear physics. Atomic physics. Molecular physics --- Nuclear physics. --- Nuclei --- Field theory (Physics). --- Self-consistent field theory. --- 539.1 Nuclear physics. Atomic physics. Molecular physics --- Nuclear shell theory --- 539.1
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Molecular physics --- Gaussian basis sets (Quantum mechanics) --- Molecules --- Self-consistent field theory --- Wave functions --- 530.1 --- Wave function --- Functions --- Wave mechanics --- Configuration space --- SCF theory --- Self consistent field method --- Self consistent fields --- Field theory (Physics) --- Molecular orbitals --- Basis sets (Quantum mechanics) --- Basic principles of physics --- 530.1 Basic principles of physics
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Atomic physics --- 530.145 --- Atoms --- Hartree-Fock approximation --- Hartree approximation --- Hartree-Fock-Slater approximation --- Approximation theory --- Energy-band theory of solids --- Many-body problem --- Self-consistent field theory --- Chemistry, Physical and theoretical --- Matter --- Stereochemistry --- Quantum theory --- Constitution --- Atoms. --- Hartree-Fock approximation. --- 530.145 Quantum theory
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Physicochemistry --- fysicochemie --- Molecular orbitals --- Self-consistent field theory --- 539.194 --- SCF theory --- Self consistent field method --- Self consistent fields --- Field theory (Physics) --- Orbitals, Molecular --- Chemical bonds --- Electrons --- Molecules --- Overlap integral --- Quantum chemistry --- Valence (Theoretical chemistry) --- Wave mechanics --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Molecular orbitals. --- Self-consistent field theory. --- Basic Sciences. Chemistry --- Physical Chemistry --- Physical Chemistry. --- 539.194 Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc
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Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectrallline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method.
Hartree-Fock approximation. --- Approximation theory. --- Materials. --- Engineering. --- Condensed Matter Physics. --- Materials Science, general. --- Engineering, general. --- Theory of approximation --- Functional analysis --- Functions --- Polynomials --- Chebyshev systems --- Hartree approximation --- Hartree-Fock-Slater approximation --- Approximation theory --- Atoms --- Energy-band theory of solids --- Many-body problem --- Self-consistent field theory --- Construction --- Industrial arts --- Technology --- Engineering --- Engineering materials --- Industrial materials --- Engineering design --- Manufacturing processes --- Materials --- Condensed matter. --- Materials science. --- Condensed materials --- Condensed media --- Condensed phase --- Materials, Condensed --- Media, Condensed --- Phase, Condensed --- Liquids --- Matter --- Solids --- Material science --- Physical sciences
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Atomic structure --- Hartree-Fock approximation. --- Méthode d'approximation Hartree-Fock --- Measurement --- Data processing. --- Méthode d'approximation Hartree-Fock --- Hartree-Fock approximation --- 539.182 --- 539.182 General theory. Wave functions. Methods of solution. Atomic models --- General theory. Wave functions. Methods of solution. Atomic models --- Hartree approximation --- Hartree-Fock-Slater approximation --- Approximation theory --- Atoms --- Energy-band theory of solids --- Many-body problem --- Self-consistent field theory --- Measurement&delete& --- Data processing --- Structure, Atomic --- Atomic theory
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Atomic physics --- Hartree-Fock approximation --- Atomes --- -Hartree-Fock approximation --- -Ions --- -Intermediates (Chemistry) --- Electrolysis --- Hartree approximation --- Hartree-Fock-Slater approximation --- Self-consistent field theory --- -Physics of single atoms --- -539.18 Physics of single atoms --- Atoms --- Ions --- 539.18 --- 539.18 Physics of single atoms --- Physics of single atoms --- Approximation theory --- Energy-band theory of solids --- Many-body problem --- Chemistry, Physical and theoretical --- Matter --- Stereochemistry --- Intermediates (Chemistry) --- Physics --- Solution (Chemistry) --- Electrons --- Handbooks, manuals, etc --- Constitution --- Properties --- Handbooks, manuals, etc. --- Guides, manuels, etc
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