Many-electron-wavepackets method
โ Scribed by H. Nagao; M. Nakano; S. Yamanaka; S. Yamada; D. Yamaki; I. Shigemoto; S. Kiribayashi; K. Yamaguchi; Y. Shigeta
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 811 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0020-7608
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โฆ Synopsis
We present a computational scheme to study the dynamics of many-electrons in molecular systems by wavepackets method. Several approaches to calculation of nonlinear optical properties for molecules under time-independent or time-dependent external electric fields are presented. Some simple examples of one-dimensional twoor three-electron systems are demonstrated concretely. Implications of these results are discussed in relation to the validity of the many electron wavepackets (MEWP) method.
๐ SIMILAR VOLUMES
We have already developed the many-electron wavepackets (MEWP) method in order to study the dynamics and electronic structure of molecular systems. We extended the MEWP method to study the nonadiabatic effects and formulated a nonadiabatic molecular theory, where both electron and nucleus are treate
## Abstract A manyโelectron theory is developed for the determination of pure spin state waveโfunctions and energies to avoid the difficulties in doing integration. The WallerโHartree pure spin state waveโfunctions are very convenient for this purpose. The required explicit formulas for the values