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Your search keyword '"Kawakami, Takashi"' showing total 2 results
Start Over Author "Kawakami, Takashi" Publisher american institute of physics
2 results on '"Kawakami, Takashi"'

1. Path integral method by means of generalized coherent states and its numerical approach to...

Author

Nagao, Hidemi, Shigeta, Yasuteru, Kawabe, Hiroyuki, Kawakami, Takashi, Nishikawa, Kiyoshi, and Yamaguchi, Kizashi

Subjects
PATH integrals, COHERENT states
Abstract

Presents a path integral formulation by the generalized coherent states of the Thouless parametrization to apply to molecular systems. Expressions derived on the ensemble average of the physical property including spin space; Calculating scheme used to compute the ensemble average.

Published
1997
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2. Theoretical Calculations of the Characteristics of Precious Metal Clusters.

Author

Okumura, Mitsutaka, Kitagawa, Yasutaka, Kawakami, Takashi, Haruta, Masatake, and Yamaguchi, Kizashi

Subjects
METAL clusters, ATOMS, CATALYSIS, HYDROGENATION, PALLADIUM, PLATINUM
Abstract

It is reported that core/shell type Pd/Pt bimetallic nanoclusters where the inner atoms of a Pd cluster are substituted by Pt atoms have extremely enhanced catalytic activity for cyclooctadiene hydrogenation. In order to discuss the electronic states of core/shell clusters, DFT calculations were carried out for Au13, Pd13, Pt13, Pt/Pd12, Pd/Pt12, Pd/Au12, Pd38, and Pd6/Pt32 clusters. From these calculations, it was found that the charge transfer between the core atoms and the shell atoms played an important role in the modification of the electronic state of the surface atoms. [ABSTRACT FROM AUTHOR]

Published
2008
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