GPU-Accelerated Large-Scale Excited-State Simulation Based on Divide-and-Conquer Time-Dependent Density-Functional Tight-Binding

GPU-Accelerated Large-Scale Excited-State Simulation Based on Divide-and-Conquer Time-Dependent Density-Functional Tight-Binding

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 40(2019), 31 vom: 05. Dez., Seite 2778-2786
1. Verfasser: Yoshikawa, Takeshi (VerfasserIn)
Weitere Verfasser: Komoto, Nana, Nishimura, Yoshifumi, Nakai, Hiromi
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2019
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't divide-and-conquer method excited-state theory graphical processor unit linear scaling time-dependent density-functional tight-binding method
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