介绍密度泛函理论(DFT)、余氏理论(EET)和程氏理论(TFDC),综述DFT在功能材料、结构材料和表面科学等领域中的应用,EET在金属材料和陶瓷材料等领域中的应用,以及TFDC在晶体中位错稳定性、簿膜内应力、纳米材料等领域中的应用,阐述了3种电子理论的相互关系和应用特点,展望3种电子理论的应用前景,指出三者的有机结合是电子理论发展的有效途径.
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