نتایج جستجو برای: time dependent density functional theory

تعداد نتایج: 3755051  

Journal: :The Journal of chemical physics 2009
Lauri Lehtovaara Ville Havu Martti Puska

We present for static density functional theory and time-dependent density functional theory calculations an all-electron method which employs high-order hierarchical finite-element bases. Our mesh generation scheme, in which structured atomic meshes are merged to an unstructured molecular mesh, allows a highly nonuniform discretization of the space. Thus it is possible to represent the core an...

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