Orbital-free density functional theory for materials research
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DOI: 10.1557/jmr.2017.462
Abstract: Orbital-free density functional theory (OFDFT) is both grounded in quantum physics and suitable for direct simulation of thousands of atoms. This article describes the application of OFDFT for materials research over roughly the past two… read more here.
Keywords: density functional; research; orbital free; materials research ... See more keywords