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Modeling the Spectra of Heavy Elements in Condensed Phase Using WFT-in-DFT and DFT-in-DFT Embedding

André Severo Pereira Gomes, Christoph R. Jacob, Florent Réal, Lucas Visscher, Valérie Vallet

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Key concepts: Embedding, Spectral line, Phase (matter), Density functional theory, Computer science, Physics, Materials science, Condensed matter physics

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Modeling the Spectra of Heavy Elements in Condensed Phase Using WFT-in-DFT and DFT-in-DFT Embedding — Research Paper | ScholarLens