Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations | Zendy

Marta Chołuj | Zendy; Md. Mehboob Alam | Zendy; Maarten T. P. Beerepoot | Zendy; Sebastian P. Sitkiewicz | Zendy; Eduard Matito | Zendy; Kenneth Ruud | Zendy; Robert Zaleśny | Zendy

Open Access

Choosing 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) , set (abstract data type) , density functional theory , photon , discrete dipole approximation , dipole , two photon absorption , molecule , statistical physics , computer science , computational physics , conjugated system , physics , materials science , molecular physics , quantum mechanics , optics , polymer , nuclear magnetic resonance , laser , geodesy , programming language , geography

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