Quantifying energetic information in density functional theory
Author(s) -
Shubin Liu
Publication year - 2022
Publication title -
the journal of chemical physics
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0104919
Subject(s) - density functional theory , information theory , statistical physics , stability (learning theory) , entropy (arrow of time) , laplace operator , work (physics) , physics , orbital free density functional theory , atoms in molecules , computer science , quantum mechanics , theoretical physics , molecule , local density approximation , mathematics , statistics , machine learning
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom