Note on the Contribution of Relativity to Cu_2 Bonding

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概要

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• We have studied relativistic effects on chemical bonding in Cu_2 dimer by using the nonrelativistic and relativistic discrete-variational X α molecular orbital calculations. The present work has shown that the relativity nontribution to the Cu_2 bonding is extremely small, in a similar manner to the previous result by Pelissier [J. Chem. Phys.79 (1983) 2099]. Although the effect of relativity is very small, this effect makes the Cu_2 bonding weak slightly, in contrast to the previous results by Bauschlicher et al. [J. Chem. Phys.76 (1982) 6015] and Martin et al. [J. Chem. Phys.78 (1983) 5840, Chem. Phys. Lett.113 (1985) 451].

• 社団法人日本物理学会の論文
• 1994-11-15

著者

• ADACHI Hirohiko

  Department of materials science and engineering, Kyoto University

• SEKINE Rika

  Department of Chemistry, Faculty of Science, Shizuoka University

• Sekine R

  Shizuoka Univ. Shizuoka Jpn

• Sekine R

  Shizuoka Univ. Hamamatsu Jpn

• Sekine Rika

  Department Of Chemistry Faculty Of Science Shizuoka University

• Takeda K

  Kyushu Univ. Fukuoka

• Adachi H

  Kyoto Univ. Kyoto

• Adachi Hirohiko

  Department Of Material Science And Engineering Kyoto University

• Nakamatsu Hirohide

  Institute For Chemical Research Kyoto University

• Nakamatsu Hirohide

  Insitute For Chemical Research Kyoto University

• TAKEUCHI Kazuo

  The Institute of Physical and Chemical Research (RIKEN)

• MUKOYAMA Takeshi

  Institute for Chemical Research Kyoto University

• Adachi H

  Department Of Physics Kyoto University

• Onoe J

  Riken (the Institute Of Physical And Chemical Research)

• Koga Tsuyoshi

  Department Of Physics Kyushu University

• Adachi H

  Central Research Laboratories Matsushita Electric Ind. Co.

• Onoe Jun

  The Institute of Physical and Chemical Research (RIKEN)

• Mukoyama T

  Kansai Gaidai Univ. Osaka

• Adachi Hirohiko

  Department Of Chemistry Hyogo University Of Teacher Education

• Koga T

  Department Of Energy Conversion Graduate School Of Engineering Sciences Kyushu Univetsily

• Adachi Hirohiko

  Department of Materials Science and Engineering,Kyoto University

• TAKEUCHI Kazuo

  The Institute of Physical and Chemical Research

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