COF26: A new on-top functional for multiconfiguration pair-density functional theory
COF26:多组态对密度泛函理论的一种新的on-top泛函
Yuhao Chen, Donald G. Truhlar, Xiao He
机构
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Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development(分子治疗与新药开发上海工程研究中心)
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Shanghai Frontiers Science Center of Molecule Intelligent Syntheses(分子智能合成上海前沿科学中心)
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School of Chemistry and Molecular Engineering, East China Normal University(东华大学化学与分子工程学院)
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Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota(明尼苏达大学化学系、化学理论中心和明尼苏达超级计算研究所)
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Chongqing Key Laboratory of Precision Optics, Chongqing Institute of East China Normal University(重庆精密光学重点实验室,东华大学重庆研究所)
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New York University–East China Normal University Center for Computational Chemistry, New York University Shanghai(纽约大学–东华大学计算化学中心,纽约大学上海)
机构
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University of California, Berkeley(加州大学伯克利分校)
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The Chinese University of Hong Kong(香港中文大学)
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New York University(纽约大学)
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The University of Hong Kong(香港大学)