# Decomposed Mean-Field Simulations of Local Properties in Condensed Phases.

@article{Eriksen2021DecomposedMS, title={Decomposed Mean-Field Simulations of Local Properties in Condensed Phases.}, author={Janus Juul Eriksen}, journal={The journal of physical chemistry letters}, year={2021}, pages={ 6048-6055 } }

The present work demonstrates a robust protocol for probing localized electronic structure in condensed-phase systems, operating in terms of a recently proposed theory for decomposing the results of Kohn-Sham density functional theory in a basis of spatially localized molecular orbitals. In an initial application to liquid, ambient water and the assessment of the solvation energy and the embedded dipole moment of H2O in solution, we find that both properties are amplified on average-in…

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### Correction to "Decomposed Mean-Field Simulations of Local Properties in Condensed Phases".

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