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標(biāo)題: Titlebook: Basic Principles and Techniques of Molecular Quantum Mechanics; Ralph E. Christoffersen Textbook 1989 Springer-Verlag New York Inc. 1989 P [打印本頁]

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978-1-4684-6362-0Springer-Verlag New York Inc. 1989
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Springer Advanced Texts in Chemistryhttp://image.papertrans.cn/b/image/181099.jpg
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https://doi.org/10.1007/978-3-540-75710-8lous experimental data then existing. Also, these developments provided a conceptual and mathematical framework that has motivated and allowed interpretation of an immense number and diversity of experiments since then. These theoretical developments, called ., will be the subject of our attention throughout this entire text.
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https://doi.org/10.1007/978-3-540-75710-8hanics in a concise and easily manipulated form. In order to become familiar with the techniques involved in manipulating matrices, let us begin by considering some definitions and elementary properties.
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https://doi.org/10.1007/978-3-540-75710-8hanics in a concise and easily manipulated form. In order to become familiar with the techniques involved in manipulating matrices, let us begin by considering some definitions and elementary properties.
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https://doi.org/10.1007/978-3-540-75710-8e theory. These postulates provide a conceptual and mathematical framework that is strikingly different from classical mechanics in many ways. Within it, however, explanations for apparently contradictory results of early experiments such as quantization of energy and angular momentum can be achieve
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Heterologous Expression of Membrane Proteinspossible equivalent ways of viewing quantum mechanics, commonly referred to as the Schr?dinger picture, the Heisenberg picture, and the interaction picture. Since these are all equivalent views of the same phenomena, the choice of which one to employ when attempting to solve a problem of interest ca
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Membrane Protein Solubilization,, is associated with the measurement of angular momentum. In particular, the allowed states of orbital angular momentum are quantized at the microscopic level, in sharp contrast to the corresponding classical analog. Also, a new kind of angular momentum, associated with the intrinsic spin of particl
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Bernard Mouillac,Jean-Louis Banèress. As a first example, we shall examine the hydrogen atom and hydrogen-like atoms. It should be noted that the hydrogen atom is not only an important historical contribution to theoretical chemistry. As we shall see later, a substantial number of the qualitative and quantitative concepts that are us
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Production of Membrane Proteins in , the quantum mechanical Hamiltonian for a time-independent, field-free, conservative system in which relativistic effects are ignored. Although such a Hamiltonian is indeed a restricted one compared to the circumstances found in many experiments, use of it has allowed a number of important principle
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Heterologous Gene Expression in E.coliough these applications were varied, there is one common characteristic shared by all of them. In each case, the Schr?dinger equation could be solved exactly for the eigenvalues and associated eigenfunctions. If this were possible for all problems of interest to chemists, our insight into the nature
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Heterologous Gene Expression in E.colimplicity of the model is considered. Many properties are accurately predicted, and total energies can be obtained that are accurate to within > 99% of the experimental value. However, we have also seen that the 1% error (i.e., the “correlation energy error”) results in incorrect conclusions in a num
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Experimental Basis of Quantum Theory,lous experimental data then existing. Also, these developments provided a conceptual and mathematical framework that has motivated and allowed interpretation of an immense number and diversity of experiments since then. These theoretical developments, called ., will be the subject of our attention t
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Matrix Theory,hanics in a concise and easily manipulated form. In order to become familiar with the techniques involved in manipulating matrices, let us begin by considering some definitions and elementary properties.
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Angular Momentum,, is associated with the measurement of angular momentum. In particular, the allowed states of orbital angular momentum are quantized at the microscopic level, in sharp contrast to the corresponding classical analog. Also, a new kind of angular momentum, associated with the intrinsic spin of particl
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The Hydrogen Atom, Rigid Rotor, and the H 2 + Molecule,s. As a first example, we shall examine the hydrogen atom and hydrogen-like atoms. It should be noted that the hydrogen atom is not only an important historical contribution to theoretical chemistry. As we shall see later, a substantial number of the qualitative and quantitative concepts that are us
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The Molecular Hamiltonian, the quantum mechanical Hamiltonian for a time-independent, field-free, conservative system in which relativistic effects are ignored. Although such a Hamiltonian is indeed a restricted one compared to the circumstances found in many experiments, use of it has allowed a number of important principle
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Approximation Methods for Stationary States,ough these applications were varied, there is one common characteristic shared by all of them. In each case, the Schr?dinger equation could be solved exactly for the eigenvalues and associated eigenfunctions. If this were possible for all problems of interest to chemists, our insight into the nature
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0172-6323 chemical thermody- namics are well represented by many excellent texts, and new or revised editions are published sufficiently often to keep up with progress in research. However, some areas of chemistry, especially many of those taught at the graduate level, suffer from a real lack of up-to-date t
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https://doi.org/10.1007/978-3-540-75710-8it, however, explanations for apparently contradictory results of early experiments such as quantization of energy and angular momentum can be achieved. In addition, it provides a framework for interpretation of future experiments, as well as additional development of the theory itself.
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Heterologous Gene Expression in E.coli the experimental value. However, we have also seen that the 1% error (i.e., the “correlation energy error”) results in incorrect conclusions in a number of important cases such as dissociation energies, electronic spectra, and potential surfaces.
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Postulates of Quantum Mechanics and Initial Considerations,it, however, explanations for apparently contradictory results of early experiments such as quantization of energy and angular momentum can be achieved. In addition, it provides a framework for interpretation of future experiments, as well as additional development of the theory itself.
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One-Dimensional Model Problems,cture. Since these are all equivalent views of the same phenomena, the choice of which one to employ when attempting to solve a problem of interest can be made on the basis of which one is most convenient to use.




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