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  Prof. Shih-I Chu

7. Self-Interaction-Free Density Functional Theory for Electronic Structure Calculations

1. X. M. Tong and S. I. Chu, Density-functional theory with optimized effective potential and self-interaction correction for ground states and autoionizing resonances, Phys. Rev. A 55, 3406–3416 (1997) [BibTeX] [link] [pdf]
2. X. M. Tong and S. I. Chu, Relativistic density-functional theory with the optimized effective potential and self-interaction correction: Application to atomic structure calculations (Z=2–106), Phys. Rev. A 57, 855–863 (1998) [BibTeX] [link] [pdf]
3. S. I. Chu, X. M. Tong, X. Chu, and D. A. Telnov, Recent new developments of steady-state and time-dependent density functional theories for the treatment of structure and dynamics of many-electron atomic, molecular, and quantum dot systems, J. Chinese Chem. Soc. 46, 361–374 (1999) [Invited article for the occasion of the 70th anniversary of Academia Sinica] [BibTeX] [link] [pdf] [tiff]
4. T. F. Jiang, X. M. Tong, and S. I. Chu, Self-interaction-free density-functional theoretical study of the electronic structure of spherical and vertical quantum dots, Phys. Rev. B 63, 045317 (2001) [BibTeX] [link] [pdf]
5. A. K. Roy and S. I. Chu, Quantum fluid dynamics approach for electronic structure calculation: application to the study of ground-state properties of rare gas atoms, J. Phys. B: At. Mol. Opt. Phys. 35, 2075–2086 (2002) [BibTeX] [link] [pdf]
6. A. K. Roy and S. I. Chu, Density-functional calculations on singly and doubly excited Rydberg states of many-electron atoms, Phys. Rev. A 65, 052508 (2002) [BibTeX] [link] [pdf]
7. Z. Y. Zhou and S. I. Chu, Spin-dependent localized Hartree-Fock density-functional calculations of singly, doubly, and triply excited Rydberg states of He- and Li-like ions, Phys. Rev. A 71, 022513 (2005) [BibTeX] [link] [pdf]

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