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Physical Chemistry

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Theoretical and Computational Chemistry

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Many Body Expansion

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3 results in Keywords: Many Body Expansion

Theoretical and Computational Chemistry

Accurate calculation of many-body energies in water clusters using a classical geometry-dependent induction model

Kristina M. Herman, Anthony J. Stone, Sotiris S. Xantheas

Version 1 posted 18 April 2023

146

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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

138

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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

100

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