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Fiona Yu

2 results in Authors: Fiona Yu

Theoretical and Computational Chemistry

Automatic Molecular Fragmentation by Evolutionary Optimisation

Fiona Yu, Jorge Galvez-Vallejo, Giuseppe Maria Junior Barca

Version 1 posted 06 August 2024

158

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Theoretical and Computational Chemistry

Assessment of Basis Set Projection and Many-Body Expansion for Initial Guesses of Self-Consistent Field Calculations

Fiona Yu, Christopher Seidl, Elise Palethorpe, Giuseppe Maria Junior Barca

Version 1 posted 29 October 2024

135

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