The unitary group in quantum chemistry
著者
書誌事項
The unitary group in quantum chemistry
（Studies in physical and theoretical chemistry, v. 44）
Elsevier, 1986
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注記
Bibliography: p. 343-379
Includes indexes
内容説明・目次
内容説明
A major concern of quantum chemistry is the prediction of properties of atoms and molecules. These predictions can be based on the solutions to certain theoretical equations. The solutions to equations for molecular systems are usually not exact. Approximate solutions therefore have to be obtained by the application of sophisticated mathematical techniques. The application of symmetry theory is essential in this process. Unitary groups arise from the application of this symmetry theory. This book concerns the use of the unitary group in such quantum chemistry calculations. The subject will be of interest to physicists and those chemists who have a strong mathematical leaning and who are developing methods for calculating molecular properties by quantum mechanical methods.
目次
1. Survey of the Conventional Methods. 2. The Symmetric Group. 3. Applications of the Symmetric Group in Quantum chemistry. 4. The Unitary Group. 5. The Unitary Group Formulation of Quantum Chemistry. 6. Computational Applications. 7. Theoretical Organic Chemistry (A Pedagogical Chapter). 8. Symmetry-Adaptation. 9. Freeon Many-Body Theory. 10. Fermion Many-Body Theory. Bibliography. Author Index. Subject Index.
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