Density functional study of double ionization energies.

Keywords

Computer science

References

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• Double ionization energies of HCl, HBr, Cl2 and Br2 molecules: An MRCI studyLívia Streit, Francisco B. C. Machado, Rogério Custódio — 2011
• An evaluation of exchange-correlation functionals for the calculations of the ionization energies for atoms and moleculesMaximiliano Segala, Delano P. Chong — 2009
• Diatomic dications and dianionsHassan Sabzyan, Elham Keshavarz, Zeinab Noorisafa — 2014
• Density functional theory study on the electron spectra of 1,4-benzoquinone vapourDelano P. Chong — 2010
• Evaluation of the B3LYP and HSE06 density functionals in the calculation of spectroscopic properties of the HCl2+ dicationHassan Sabzyan, Elham Keshavarz, Zeinab Noorisafa — 2015
• Correlation of electronic structures of three cyclic dipeptides with their photoemission spectra.Anoja P. Wickrama Arachchilage, Feng Wang, Vitaliy Feyer — 2010
• Synchrotron radiation VUV double photoionization of CHF2ClYujie Zhao, Yue Sun, Jinda Sun — 2009
• Synchrotron radiation VUV double photoionization of some small moleculesYujie Zhao, Xiaobin Shan, Liusi Sheng — 2011
• Revealing the Role of N Heteroatoms in Noncovalent Aromatic Interactions by Ultrafast Intermolecular Coulombic Decay.Jiaqi Zhou, Shaokui Jia, Xiaorui Xue — 2024

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