Accurate Prediction of Vertical Ionization Potentials and Electron Affinities from Spin-Component Scaled CC2 and ADC(2) Models
Author:
Affiliation:
1. György Hevesy Doctoral School, Institute of Chemistry, ELTE Eötvös Loránd University, H-1117Budapest, Hungary
2. Laboratory of Theoretical Chemistry, Institute of Chemistry, ELTE Eötvös Loránd University, P.O. Box 32, H-1518Budapest 112, Hungary
Funder
Magyar Tudom?nyos Akad?mia
Nemzeti Kutat?si Fejleszt?si ?s Innov?ci?s Hivatal
Innov?ci?s ?s Technol?giai Miniszt?rium
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00624
Reference73 articles.
1. Accuracy of Spin-Component-Scaled CC2 Excitation Energies and Potential Energy Surfaces
2. Accuracy of Spin-Component Scaled ADC(2) Excitation Energies and Potential Energy Surfaces
3. Improved Description of Charge-Transfer Potential Energy Surfaces via Spin-Component-Scaled CC2 and ADC(2) Methods
4. A new method for excited states: Similarity transformed equation-of-motion coupled-cluster theory
5. Similarity transformed equation-of-motion coupled-cluster theory: Details, examples, and comparisons
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