Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Molecular Dynamics : held at St. Augustine, Florida, March 9-16, 1991
著者
書誌事項
Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Molecular Dynamics : held at St. Augustine, Florida, March 9-16, 1991
（International journal of quantum chemistry, .Quantum chemistry symposium ; no. 25）
J. Wiley, 1991
- タイトル別名
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Proceedings of the International Symposium on Quantum Chemistry, Solid-State Physics, and Computational Methods
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注記
"An Interscience publication."
Includes bibliographies and index
内容説明・目次
内容説明
This volume of conference proceedings reflects recent developments in the field of quantum chemistry. It includes papers on atoms in intense magnetic and electrical fields, electron-atom interaction potential, algebrants in electron quantum mechanics and nonadiabatic molecular dynamics.
目次
- Molecular structure and function, W. Lipscomb
- renormalized ground states in electron propagator theory, J. Ortiz
- maximum similarity orbitals for analysis of the electronic excited states, J. Cioslowski and M. Challacombe
- effects of basis set contraction on relativistic and Breit interaction energies, Y. Ishikawa
- sensistivity of time-dependent vibrational dynamics to curve-crossing topology, J. Broeckhove et al
- algebrants in many electron quantum mechanics II - new computational algorithms, R. Poshusta
- calculation of molecular geometries and energies by a local density functional approach, J. Seminario et al
- nonadiabatic molecular dynamics, J. Tully
- atoms and ions in intense magnetic and electric fields, N. March
- solvation effects on the structure and reactivity of clusters, A. Castleman
- electron-atom interaction potential by DCS minimization, J. Paikeday
- theoretical study on A1 multiple substitutions in the MFI zeolite, J. Morales et al.
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