Open AccessN-representability of the target density in Frozen-Density Embedding Theory based methods: Numerical significance and its relation to electronic polarization
Author(s) -
Niccolò Ricardi,
Cristina E. GonzálezEspinoza,
Tomasz A. Wesołowski
Publication year - 2022
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0095566
Subject(s) - wave function , polarization (electrochemistry) , embedding , eigenvalues and eigenvectors , principal component analysis , observable , electronic density , negativity effect , energy density , mathematics , density functional theory , quantum mechanics , physics , theoretical physics , chemistry , computer science , statistics , artificial intelligence , psychology , social psychology
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