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標(biāo)題: Titlebook: Conceptual Trends in Quantum Chemistry; E. S. Kryachko,J. L. Calais Book 1994 Springer Science+Business Media Dordrecht 1994 bonding.chemi [打印本頁]

作者: hypothyroidism    時間: 2025-3-21 17:26
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String Model of Chemical Reactions, chemical reaction system A composed of several molecules, and the perturbation effects to it. Relativistic corrections including spin-dependent interactions or external electromagnetic fields including solvent effects are here treated as perturbations.
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The Nature of the Chemical Bond 1993,on. After being educated in classical biochemistry in Britain he taught in a relatively isolated institution; he had evidently never become acquainted with the fundaments of quantum chemistry, even to the extent of solving by his own hand the most common such problem, the .. With the best of intenti
作者: FOLLY    時間: 2025-3-23 00:05
A Phase Space Essay,ics, i.e. quantum mechanics before Heisenberg and Schr?dinger, was essentially formulated in phase space. But with the advent of modern quantum mechanics, emphasis was put on Hilbert space instead, and phase space became a dangerous place to rest in because of the uncertainty relation between positi
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Towards an Operational Quantum Memory,correlation, a very large number of configurations are needed. Accurate calculations even on small molecules can strain the power of the largest modern computers; and the resulting multiconfigurational wave functions are often so complicated that they are difficult to interpret.
作者: 定點    時間: 2025-3-23 19:37
Hyperspherical Harmonics; Some Properties and Applications,correlation, a very large number of configurations are needed. Accurate calculations even on small molecules can strain the power of the largest modern computers; and the resulting multiconfigurational wave functions are often so complicated that they are difficult to interpret.
作者: obsession    時間: 2025-3-23 23:14
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 large, computationists. But fir
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The Wavelet Transform: A New Mathematical Tool for Quantum Chemistry,ht into electronic distributions, e.g. information on the momenta of the electrons is completely smoothed out. Therefore the possibility of “l(fā)ooking at orbitals ” in different ways is still an up-to-date problem and appears as a necessary complement for a better understanding of a chemical structure.
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String Model of Chemical Reactions, chemical reaction system A composed of several molecules, and the perturbation effects to it. Relativistic corrections including spin-dependent interactions or external electromagnetic fields including solvent effects are here treated as perturbations.
作者: fluoroscopy    時間: 2025-3-24 23:03
A Phase Space Essay,ics, i.e. quantum mechanics before Heisenberg and Schr?dinger, was essentially formulated in phase space. But with the advent of modern quantum mechanics, emphasis was put on Hilbert space instead, and phase space became a dangerous place to rest in because of the uncertainty relation between position and momentum.
作者: 執(zhí)拗    時間: 2025-3-24 23:28
https://doi.org/10.1007/978-94-011-0852-2bonding; chemical bond; chemical reaction; quantum chemistry; quantum mechanics; structure; theoretical ch
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Introduction: Towards a Sociology of Coasts,s from the very earliest days of the subject. The genesis of the idea is usually attributed to Born and Oppenheimer, [1], but it actually seems to have been idea that was in the air at the time, for the earliest papers in which the idea is used predate the publication of their paper. The object of t
作者: 河流    時間: 2025-3-25 18:28
Changes in Software Engineering Control,upon extremely subtle chemistry. This fact alone is sufficient to ensure that the stereotypical distinctions (and prejudices) which have long separated quantum chemistry and condensed matter physics are no longer tolerable. Prediction of the electronic structure of complex materials systems is so fu
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Towards an Operational Quantum Memory,dominant. The most common approach in solving the many-particle Schr?dinger equation has been to separate the motions of the nuclei from those of the electrons by means of the Born-Oppenheimer approximation, and then to reduce the resulting many-electron wave equation to a single-electron equation b
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Approaches to Adaptive Strategic Managementon. After being educated in classical biochemistry in Britain he taught in a relatively isolated institution; he had evidently never become acquainted with the fundaments of quantum chemistry, even to the extent of solving by his own hand the most common such problem, the .. With the best of intenti
作者: fixed-joint    時間: 2025-3-26 16:12
Structured Strategic Contingency Planningics, i.e. quantum mechanics before Heisenberg and Schr?dinger, was essentially formulated in phase space. But with the advent of modern quantum mechanics, emphasis was put on Hilbert space instead, and phase space became a dangerous place to rest in because of the uncertainty relation between positi
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https://doi.org/10.1007/978-94-009-0953-3y, the problem has been approached by representing the one-electron charge density. However, this density on its own does not provide a complete insight into electronic distributions, e.g. information on the momenta of the electrons is completely smoothed out. Therefore the possibility of “l(fā)ooking a
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http://image.papertrans.cn/c/image/235058.jpg
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Introduction and Definition of the Problem, chemical reaction system A composed of several molecules, and the perturbation effects to it. Relativistic corrections including spin-dependent interactions or external electromagnetic fields including solvent effects are here treated as perturbations.
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Introduction: Towards a Sociology of Coasts,d Coulomb binding energies. For the ground state of the hydrogen atom (13.6 eV binding energy) the low field region goes up to a field strength of approximately B≈10. T. The intermediate region, for which the cyclotron and Coulomb binding energy are of comparable order of magnitude, is given for 10.
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Approaches to Adaptive Strategic Management the general understanding of quantum chemistry and its relation to macroscopic measurements on chemical, physical and biological systems left much to be desired. During the succeeding fifteen years I collected information from the chemical literature that I cumulatively presented in various lecture
作者: 相信    時間: 2025-3-28 03:48
Molecules in Magnetic Fields: Fundamental Aspects,d Coulomb binding energies. For the ground state of the hydrogen atom (13.6 eV binding energy) the low field region goes up to a field strength of approximately B≈10. T. The intermediate region, for which the cyclotron and Coulomb binding energy are of comparable order of magnitude, is given for 10.
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The Nature of the Chemical Bond 1993, the general understanding of quantum chemistry and its relation to macroscopic measurements on chemical, physical and biological systems left much to be desired. During the succeeding fifteen years I collected information from the chemical literature that I cumulatively presented in various lecture
作者: 影響深遠(yuǎn)    時間: 2025-3-28 21:29
Book 1994wing 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 impo
作者: sacrum    時間: 2025-3-29 01:30
wer 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 impo978-94-010-4367-0978-94-011-0852-2
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