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Elise Palethorpe

2 results in Authors: Elise Palethorpe

Theoretical and Computational Chemistry

High-performance multi-GPU analytic RI-MP2 energy gradients

Ryan Stocks, Elise Palethorpe, Giuseppe Maria Junior Barca

Version 1 posted 19 February 2024

303

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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

101

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