Criteria of parameter selection for quantum chemical simulation of the electronic structure of rare-earth ions by the scattered wave cluster method

A. Yu. Kuznetsov; A. B. Sobolev; Yu. L. Korol

doi:10.1007/bf02741992

journal article May 01, 2000

Criteria of parameter selection for quantum chemical simulation of the electronic structure of rare-earth ions by the scattered wave cluster method

A. Yu. Kuznetsov A. B. Sobolev Yu. L. Korol

Journal of Structural Chemistry Vol. 41 No. 3 pp. 362-367 · Pleiades Publishing Ltd

View at Publisher Save 10.1007/bf02741992

Topics

No keywords indexed for this article. Browse by subject →

References

18

[1]

C. W. E. Van Eijk, J. Andriessen, P. Dorenbos, and R. Visser,Nucl. Instr. Meth.,A348, 546–550 (1994). 10.1016/0168-9002(94)90798-6

[2]

K. H. Johnson,Adv. Quant. Chem.,7, 143–185 (1973). 10.1016/s0065-3276(08)60561-4

[3]

J. P. Desclaux,Comput. Phys. Corn.,9, 31–48 (1975). 10.1016/0010-4655(75)90054-5

[4]

S. H. Vosko, L. Wilk, and M. Nusair,Can. J. Phys.,58, 1200–1210 (1980). 10.1139/p80-159

[5]

J. C. Slater,The Self-Consistent Field for Molecules and Solids, McGraw Hill, New York (1974).

[6]

H. Merenga,Electronic Structure Calculation on Cerium-Containing Crystals: Towards a Better Understanding of Scintillation in Ionic Crystals, III. Thesis Delft University of Technology, Delft University Press, Delft (1997).

[7]

J. H. Wood and A. M. Boring,Phys. Rev. B,18, 2701–2711 (1978). 10.1103/physrevb.18.2701

[8]

P. Cortona, S. Doniach, and C. Sommers,Phys. Rev. A,31, No. 5, 2842–2850 (1985). 10.1103/physreva.31.2842

[9]

V. Von Barth and L. Hedin,J. Phys. C,4, 2064–2073 (1971). 10.1088/0022-3719/4/14/022

[10]

M.-A. Perrin and E. Wimmer,Phys. Rev. B,54, No. 4, 2428–2435 (1996). 10.1103/physrevb.54.2428

[11]

S. Lundquist and M. H. Norman (eds.),Theory of the Inhomogeneous Electron Gas, Plenum, New York (1983).

[12]

R. A. Heaton, J. G. Harrison, and C. C. Lin,Phys. Rev. B,31, No. 2, 1077–1089 (1985). 10.1103/physrevb.31.1077

[13]

J. P. Perdew and M. R. Zunger,ibid.,23, No. 10, 5048–5079 (1981). 10.1103/physrevb.23.5048

[14]

A. B. Sobolev,Fiz. Tverd. Tela,35, No. 9, 2509–2518 (1993).

[15]

R. Visser, J. Andriessen, P. Dorenbos, and C. W. E. Van Eijk,J. Phys.: Cond. Matter,5, 5887–5910 (1993). 10.1088/0953-8984/5/32/017

[16]

W. C. Martin, R. Zalubas, and L. Hagan,Atomic Energy Levels, The Rare-Earth Elements, NBS, Washington (1978).

[17]

W. M. Temmerman and Z. Szotek,Phys. Rev. B,47, No. 17, 11533–11536 (1993). 10.1103/physrevb.47.11533

[18]

A. B. Sobolev,Fiz. Tverd. Tela,36, No. 10, 2926–2934 (1994).

Metrics

0

Citations

18

References

Details

Published: May 01, 2000
Vol/Issue: 41(3)
Pages: 362-367
License: View

Authors

Cite This Article

A. Yu. Kuznetsov, A. B. Sobolev, Yu. L. Korol (2000). Criteria of parameter selection for quantum chemical simulation of the electronic structure of rare-earth ions by the scattered wave cluster method. Journal of Structural Chemistry, 41(3), 362-367. https://doi.org/10.1007/bf02741992

Criteria of parameter selection for quantum chemical simulation of the electronic structure of rare-earth ions by the scattered wave cluster method

You May Also Like