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http://idr.niser.ac.in:8080/jspui/handle/123456789/884| Title: | Time-independent excited-state density functional theory: Study of 1s 22p3(4S) and 1s22p3( 2D) states of the boron isoelectronic series up to Ne5+ |
| Authors: | Samal, Prasanjit |
| Issue Date: | 16-Dec-2008 |
| Publisher: | Journal of Physics B: Atomic, Molecular and Optical Physics |
| Citation: | Harbola, M. K., & Samal, P. (2009). Time-independent excited-state density functional theory: study of 1s22p3(4S) and 1s22p3(2D) states of the boron isoelectronic series up to Ne5+. Journal of Physics. B, Atomic, Molecular, and Optical Physics: An Institute of Physics Journal, 42(1), 015003. |
| Abstract: | Using accurate Monte Carlo densities for excited states of the boron isoelectronic series, we construct the Kohn–Sham systems for these excited states. The Kohn–Sham system is that for which the non-interacting kinetic energy is closest to the true kinetic energy. Within the exchange-only approximation we also demonstrate the accuracy of a newly constructed exchange-energy functional for these excited states. |
| URI: | https://doi.org/10.1088/0953-4075/42/1/015003 http://idr.niser.ac.in:8080/jspui/handle/123456789/884 |
| Appears in Collections: | Journal Papers |
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