Abstract
Excited states of negative aluminum ion are reviewed, and calculations of electron affinities of the states \((3s^23p^2)^1D\) and \((3s3p^3){^5}{S}{^\circ }\) relative to the \((3s^23p)^2P^\circ\) and \((3s3p^2)^4P\) respectively of the neutral aluminum atom are reported in the framework of nonrelativistic configuration interaction (CI) method. A priori selected CI (SCI) with truncation energy error (Bunge in J Chem Phys 125:014107, 2006) and CI by parts (Bunge and Carbó-Dorca in J Chem Phys 125:014108, 2006) are used to approximate the valence nonrelativistic energy. Systematic studies of convergence of electron affinity with respect to the CI excitation level are reported. The calculated value of the electron affinity for \(^1D\) state is 78.675(3) meV. Detailed Calculations on the \(^5S^\circ\) state reveals that is 1216.8166(3) meV below the \(^4P\) state.
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References
T Andersen Phys. Rep. 394 157 (2004)
G J Schulz Rev. Mod. Phys. 45 378 (1973)
M Scheer, R C Bilodeau, J Thøgersen and H K Haugen Phys. Rev. A57 R1493 (1998)
G de Oliveira, J M L Martin, F de Proft and P Geerlings Phys. Rev. A60 1034 (1999)
A Y Hussien Acta. Phys. Pol. A128 268 (2015)
C F Bunge and A V Bunge Int. J. Quanum. Chem. S12 345 (1978)
C F Bunge, M Galán, R Jáuregui and A V Bunge Nucl. Instr. Meth. 202 299 (1982)
O Jitrik and C F Bunge Phys. Rev. A56 2614 (1997)
C F Bunge J. Chem. Phys. 125 014107 (2006)
C F Bunge and R Carbó-Dorca J. Chem. Phys. 125 014108 (2006)
I Shavitt Methods of Electronic Structure Theory: The Method of Configuration Interaction (eds.) H F Schaefer III (New York: Plenum Press) p 189 (1977)
A V Bunge, C F Bunge, R Jáuregui and G Cisneros Comp. Chem. 13 201 (1989)
R Jáuregui, C F Bunge, A V Bunge and G Cisneros Comp. Chem. 13 223 (1989)
A V Bunge, C F Bunge, R Jáuregui and G Cisneros Comp. Chem. 13 239 (1989)
C F Bunge Phys. Scr. T120 78 (2005)
C F Bunge Phys. Rev. Lett. 44 1450 (1980)
C F Bunge Theor. Chim. Acta 126 139 (2010)
C F Bunge, J A Barrientos and A V Bunge At. Data Nucl. Data Tables 53 113 (1993)
R E Brown PhD thesis (Indiana University, Department of Chemistry) (1967)
C F Bunge Mol. Phys. 108 3279 (2010)
Available upon request at bunge@fisica.unam.mx.
C X Almora-Díaz J. Chem. Phys. 140 184302 (2014)
C Schwartz Phys. Rev. 126 1015 (1962)
C S Feigerle, R R Corderman and W C Lineberger J. Chem. Phys. 74 1513 (1981)
Acknowledgements
The author would like to acknowledge the support and encouragement of Professor Carlos F. Bunge during 5 years of exciting and fruitful collaboration. The support of TWAS-CONACYT through postdoctoral grant is gratefully acknowledged. The author thanks the Instituto de Física, Universidad Nacional Autónoma de México for computer services.
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Hussein, A.Y. Excited state electron affinity calculations for aluminum. Indian J Phys 91, 845–851 (2017). https://doi.org/10.1007/s12648-017-0992-4
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DOI: https://doi.org/10.1007/s12648-017-0992-4