Accurate Singlet–Triplet Excited States Energy Gap Can Be Mastered by Time-Dependent Density Functional Theory Calculations Based on a Dielectric-Screened Range-Separated Hybrid Functional
Year: 2024
Type: article
Authors: Roshan Khatri, Barry D. Dunietz
Institution: Kent State University
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: closed
Funder: Basic Energy Sciences
Award: G8240154029
OpenAlex ID: W4405540282
