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1篇 您的检索式：作者名="Martin Panholzer"

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		题名	作者	年代	出处	被引量
	1	Connector theory for reusing model results to determine materials properties显示文摘The success of Density Functional Theory(DFT)is partly due to that of simple approximations,such as the Local Density Approximation(LDA),which uses results of a model,the homogeneous electron gas,to simulate exchange-correlation effects in real materials.We turn this intuitive approximation into a general and in principle exact theory by introducing the concept of a connector:a prescription how to use results of a model system in order to simulate a given quantity in a real system.In this framework,the LDA can be understood as one particular approximation for a connector that is designed to link the exchange-correlation potentials in the real material to that of the model.Formulating the in principle exact connector equations allows us to go beyond the LDA in a systematic way.Moreover,connector theory is not bound to DFT,and it suggests approximations also for other functionals and other observables.We explain why this very general approach is indeed a convenient starting point for approximations.We illustrate our purposes with simple but pertinent examples.	Marco Vanzini Ayoub Aouina Martin Panholzer Matteo Gatti Lucia Reining	2022	npj Computational Materials2022，，1：	1

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