Structure and dynamics of atoms and molecules : concepts and trends
著者
書誌事項
Structure and dynamics of atoms and molecules : concepts and trends
Kluwer Academic, c1995
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注記
"Companion volume to: Conceptual trends in quantum chemistry."
Includes bibliographical references (p. 257-262) and index
内容説明・目次
内容説明
A companion volume to "Conceptual Trends in Quantum Chemistry", this work contains eight contributions focusing on important conceptual trends in atomic and molecular theory. The "polarization" between ab initio and semi-empirical methods is thoroughly analyzed in two of the articles, which also provide bridges between such procedures. Hydrogen-transfer theory and electron delocalization are treated in two further papers. Explicitly time-dependent descriptions of intermolecular dynamics, which constitute a characteristic trend in current research, are represented by an article about the quantum dynamics of diatoms in external fields. A view of certain atomic excited states is presented in a paper on collective and independent particle character, and a new theoretical tool is surveyed in an article on dimensional scaling. The final article analyzes density functional theory.
目次
- Elements of hydrogen-transfer theory, R. Lefebvre
- building a bridge between ab initio and semi-empirical theories of molecular electronic structure, K.F. Freed
- electron delocalization in the theory of intermolecular and intergroup interactions - cause, effect, prevention, W.H. Adams
- quantum dynamics of diatoms in external fields, J. Broeckhove et al
- dimensional scaling in quantum theory, J. Avery
- probing the collective and independent-particle - some character of atomic electrons, R.S. Berry
- electronic structure models - computations, chemical insights and appropriateness, M.A. Ratner
- the work formalism - a new theory of electronic structure, V. Sahni.
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