Titlebook: Structure and Dynamics of Atoms and Molecules: Conceptual Trends; J. L. Calais,E. S. Kryachko Book 1995 Springer Science+Business Media Do

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Electronic Structure Models: Computations, Chemical Insights and Appropriateness,ortance of the central fact that these are model calculations: both . and semiempirical calculations use electronic structure models, in the form of a representation of the coulomb Hamiltonian over some finite basis set. Different basis sets, with different interaction integrals, correspond to diffe

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uan­ tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by and large, computationists. But

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Probing The Collective and Independent-Particle Character of Atomic Electrons,ponded a quantum number. Transitions between stationary states corresponded to sudden changes in the values of constants of the motion and of the corresponding quantum numbers, and to the absorption or emission of radiation to maintain conservation of energy.

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er is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as impor978-94-010-4116-4978-94-011-0263-6

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Structure and Dynamics of Atoms and Molecules: Conceptual Trends

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Structure and Dynamics of Atoms and Molecules: Conceptual Trends978-94-011-0263-6