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Function Theory and its applications

✍ Scribed by HAYMAN, W. K.


Book ID
109618534
Publisher
Nature Publishing Group
Year
1961
Tongue
English
Weight
134 KB
Volume
192
Category
Article
ISSN
0028-0836

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Density functional theory without the Bo
✍ Y. Shigeta; H. Takahashi; S. Yamanaka; M. Mitani; H. Nagao; K. Yamaguchi πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 339 KB πŸ‘ 2 views

A procedure for the calculation of molecular properties in the full quantum mechanical treatment is presented. We formulate the non-Born᎐Oppenheimer density functional theory and propose its numerical scheme. We numerically calculate Ž . the energy, particle densities, interparticle distance, and hy