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ArticleJ-GLOBAL ID:200902212384493326整理番号:08A0939001

First order simultaneous optimization of molecular geometry and electronic wave function

分子構造と電子波動関数の一次の同時最適化

著者:MOSS Christopher L.(Dep. of Chemistry, Univ. of Washington, Seattle, Washington 98195-1700, USA)、LI Xiaosong(Dep. of Chemistry, Univ. of Washington, Seattle, Washington 98195-1700, USA)
資料名:J Chem Phys 巻:129 号:11 ページ:114102
発行年:2008年09月21日
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J-GLOBAL: Linking, Expanding and Sparking

About J-GLOBAL

Linking

J-GLOBAL links information that represents the key to research and development. For example, linking articles and patents with people (authors and inventors) enables the extraction of a sequence of information.
It’s useful for making new discoveries and uncovering new information.

Expanding

The system enables searches of similar kinds of content through linkage with external sites.
It helps you to obtain knowledge from dissimilar fields and discover concepts that cross the boundaries of specialisms.

Sparking

Through repeated linkage and expansioniteration, J-GLOBAL provides unexpected hints for problem-solving and the illumination of new ideas.