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Theoretical Simulation of K-Edge X-Ray Absorption Spectra for Methane and Its Fluorinated Derivatives
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Development of Analytic Energy Gradients for the Driven Similarity Renormalization Group Second-Order Perturbation Theory
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A blessing and a curse of dimensionality: using quantum computers to simulate strongly correlated fermionic systems.
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Applications of Ultrafast Spectroscopy in Charge Transfer and Interfacial Reactions
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The Search for Interstellar Organic Ions
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