Search

Categories

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Last 3 years

(3)

Last 12 months

(2)

Keywords

Many body expansion

Authors

3 results in Keywords: Many body expansion

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

215

Downloads

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

213

Downloads

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

193

Downloads