Density Functional Treatment of Photoionization of Sodium Clusters: Effects of Cluster Size and Exchange–Correlation Framework
Abstract
:1. Introduction
2. Theoretical Methodology
2.1. DFT Exchange–Correlation Functionals
2.2. LR-TDDFT Dynamical Response
3. Results and Discussion
3.1. Ground State Structure
3.2. Total Photoionization Cross-Section
3.3. Comparison with Experiments
3.4. Self-Consistent Induced Potential
4. Summary and Conclusions
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Shaik, R.; Varma, H.R.; Chakraborty, H.S. Density Functional Treatment of Photoionization of Sodium Clusters: Effects of Cluster Size and Exchange–Correlation Framework. Atoms 2023, 11, 114. https://doi.org/10.3390/atoms11080114
Shaik R, Varma HR, Chakraborty HS. Density Functional Treatment of Photoionization of Sodium Clusters: Effects of Cluster Size and Exchange–Correlation Framework. Atoms. 2023; 11(8):114. https://doi.org/10.3390/atoms11080114
Chicago/Turabian StyleShaik, Rasheed, Hari R. Varma, and Himadri S. Chakraborty. 2023. "Density Functional Treatment of Photoionization of Sodium Clusters: Effects of Cluster Size and Exchange–Correlation Framework" Atoms 11, no. 8: 114. https://doi.org/10.3390/atoms11080114