Exploring the potential of natural orbital functionals
M Piris - Chemical Science, 2024 - pubs.rsc.org
In recent years, Natural Orbital Functional (NOF) theory has gained increasing significance
in quantum chemistry, successfully addressing one of the field's most challenging problems …
in quantum chemistry, successfully addressing one of the field's most challenging problems …
Advances in approximate natural orbital functionals: From historical perspectives to contemporary developments
M Piris - arxiv preprint arxiv:2312.07163, 2023 - arxiv.org
This chapter provides a comprehensive review of fundamental concepts related to
approximate natural orbital functionals (NOFs), emphasizing their significance in quantum …
approximate natural orbital functionals (NOFs), emphasizing their significance in quantum …
Assessing the global natural orbital functional approximation on model systems with strong correlation
In the past decade, natural orbital functional (NOF) approximations have emerged as
prominent tools for characterizing electron correlation. Despite their effectiveness, these …
prominent tools for characterizing electron correlation. Despite their effectiveness, these …
Exploring the Potential of Natural Orbital Functionals: A Perspective
M Piris - 2024 - chemrxiv.org
Natural Orbital Functional (NOF) theory has become a cornerstone of quantum chemistry in
recent years, successfully addressing one of the field's most challenging problems …
recent years, successfully addressing one of the field's most challenging problems …