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机译:密度函数理论中的Play力与扩展的哈伯德功能:从非正交化到正交化歧管
Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) Ecole Polytechnique Federate de Lausanne (EPFL) CH-1015 Lausanne Switzerland;
Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) Ecole Polytechnique Federate de Lausanne (EPFL) CH-1015 Lausanne Switzerland;
Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) Ecole Polytechnique Federate de Lausanne (EPFL) CH-1015 Lausanne Switzerland;
Department of Physics University of Pavia 1-27100 Pavia Italy;
Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) Ecole Polytechnique Federate de Lausanne (EPFL) CH-1015 Lausanne Switzerland;
机译:大型扩展pi系统的密度泛函理论和时间相关的密度泛函理论的失败
机译:大型扩展pi系统的密度泛函理论和时间相关的密度泛函理论的失败
机译:周期和分子系统密度泛函理论中的普莱力
机译:高k栅堆叠中空穴陷阱过程的物理学:结合密度泛函和Marcus理论的整个界面系统的直接模拟形式
机译:使用优化的复合有效势和动能及交换能密度函数的简单梯度展开来逼近密度泛函理论。
机译:密度函数理论研究重晶石使用膦酸盐和基于羧基抑制剂的抑制抑制
机译:时间密度函数理论符合动态均值场理论:3D Hubbard模型的实时动力学