A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz

著录项

• 来源
  《Proceedings of the National Academy of Sciences of the United States of America》 |2011年第50期|p.19896-19900|共5页
• 作者

  Igor Ying Zhang; Xin Xu; Yousung Jung; William A. Goddard III;

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• 作者单位

  Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Ministry of education (MOE) Laboratory for Computational Physical Science, Fudan University, Shanghai 200433, China,State Key Laboratory of Physical Chemistry of Solid Surfaces, College for Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China;

  Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Ministry of education (MOE) Laboratory for Computational Physical Science, Fudan University, Shanghai 200433, China,State Key Laboratory of Physical Chemistry of Solid Surfaces, College for Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China;

  World Class University (WCU) Professor Program at the Graduate School of Energy, Environment, Water, and Sustainability (EEWS), Korea Advanced Institute of Science and Technology, Daejeon 305-701, Republic of Korea;

  World Class University (WCU) Professor Program at the Graduate School of Energy, Environment, Water, and Sustainability (EEWS), Korea Advanced Institute of Science and Technology, Daejeon 305-701, Republic of Korea,Materials and Process Simulation Center (139-74), California Institute of Technology, Pasadena, CA 91125;

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• 收录信息 美国《科学引文索引》(SCI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
• 原文格式 PDF
• 正文语种 eng
• 中图分类
• 关键词

  ACM; DHDF; GGA; LDA; MAD;

  机译：ACM;DHDF;GGA;LDA;狂;