The Vibronic Structure of Electronic Absorption Spectra of Large Molecules: A Time-Dependent Density Functional Study on the Influence of “Exact” Hartree−Fock Exchange

By Marc Dierksen, Stefan Grimme. 2004

298 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/e7fbc9a6aca65f04778afccc8673fc26a1365402

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In Atomic and Molecular Physics, and Optics

1. Fabrizio Santoro
2. Denis Jacquemin

In Organic Chemistry

1. Fabrizio Santoro
2. Denis Jacquemin

In Physical and Theoretical Chemistry

1. Fabrizio Santoro
2. Denis Jacquemin

Citations in the corpus

• Going beyond the vertical approximation with time‐dependent density functional theory (2016, methodology): “30–40% of exact exchange were the most suited, though none of the three tested XCFs was providing uniformly accurate band topologies for all compounds.(82) In 2013 and 2014, a set of 20 conjugated compounds was built and the absorption and emission AH vibronic shapes have been determined in the FC a”