Accuracy of projected atomic virtual orbital space in embedding applications
Author:
Affiliation:
1. Hevesy György PhD School of Chemistry, ELTE Eötvös Loránd University, Budapest, Hungary
2. Laboratory of Theoretical Chemistry, Institute of Chemistry, ELTE Eötvös Loránd University, Budapest, Hungary
Funder
National Research, Development and Innovation Fund
Publisher
Informa UK Limited
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2024.2355694
Reference47 articles.
1. Self-Consistent Equations Including Exchange and Correlation Effects
2. M.E. Casida in Computational Chemistry: Reviews of Current Trends edited by D.P. Chong Vol. 1 (World Scientific Singapore 1999).
3. Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
4. A. Goez and J. Neugebauer in Frontiers of Quantum Chemistry edited by Marek J. Wójcik H. Nakatsuji B. Kirtman and Y. Ozaki (Springer Singapore 2018) pp. 139–179.
5. A Simple, Exact Density-Functional-Theory Embedding Scheme
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