Open AccessChoosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations
Author(s) -
Marta Chołuj,
Md. Mehboob Alam,
Maarten T. P. Beerepoot,
Sebastian P. Sitkiewicz,
Eduard Matito,
Kenneth Ruud,
Robert Zaleśny
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.1c01056
Subject(s) - benchmark (surveying) , absorption (acoustics) , density functional theory , photon , set (abstract data type) , discrete dipole approximation , dipole , molecule , computer science , two photon absorption , statistical physics , computational physics , series (stratigraphy) , physics , materials science , molecular physics , quantum mechanics , optics , paleontology , laser , geodesy , biology , programming language , geography