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Updated: Jul 23, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Analytical quadrature method using recurrence formulas for two-electron integrals of frequency-dependent Breit

Nobuki Inoue1, Takahito Nakajima1

  • 1RIKEN Center for Computational Science, Kobe, Hyogo, Japan.

Journal of Computational Chemistry
|July 11, 2023
PubMed

Keywords:
frequency-dependent Breit interactionincomplete molecular gamma functionrecurrence relationtwo-electron repulsion integral

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