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Many-electron-wavepackets method

โœ 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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โœฆ 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.


๐Ÿ“œ SIMILAR VOLUMES


Nonadiabatic treatment of molecular syst
โœ H. Nagao; K. Kodama; Y. Shigeta; K. Nishikawa; H. Kawabe; M. Nakano; K. Yamaguch ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 607 KB

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

Many-Electron Hopping
โœ P. Gosar ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 390 KB
(ฯ†4)4-Wavepackets
โœ Frederic Bisshopp ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 657 KB
Many-electron theory in the Wallerโ€“Hartr
โœ T. K. Lim ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 305 KB

## Abstract A manyโ€electron theory is developed for the determination of pure spin state waveโ€functions and energies to avoid the difficulties in doing integration. The Wallerโ€“Hartree pure spin state waveโ€functions are very convenient for this purpose. The required explicit formulas for the values