On the effect of overlapping and covalency on the optical spectra of impurity ions in dielectric crystals

Cherepanov, V. I.; Krotkii, A. I.; Shchetkov, A. A.

doi:10.1002/pssb.2220490104

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A Nonperturbative Lcao Model Of the Nephelauxetic Effect1

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1976

1988

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“…(14)l. The one-center term in Eq. (14) reflects the "local" contribution to the NE in the terminology of [6]. Since Eqs.…”

Section: A Nonperturbative Lcao Model Of the Nephelauxetic Effectmentioning

confidence: 99%

The concept of the topological atom within the MO‐LCAO approach. II. On the nature of the nephelauxetic effect

Proinov

Neshey

Andreev

1988

Int J of Quantum Chemistry

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A new MO-LCAO description of the nephelauxetic effect is proposed based on the concept of the topological atom and on the method of reduced density matrices. This approach allows one to overcome some conceptual difficulties of ligand-field theory and to derive effective parameters of d-d electron repulsion of a bound transition-metal in a proper way. The two ligand-field mechanisms of the nephelauxetic effectthe central field covalency and the symmetry-restricted covalency -are clarified and generalized. In addition, a new factor, important for the nephelauxetic effect is found: its size-dependence on the region of the topological atom.

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“…(14)l. The one-center term in Eq. (14) reflects the "local" contribution to the NE in the terminology of [6]. Since Eqs.…”

Section: A Nonperturbative Lcao Model Of the Nephelauxetic Effectmentioning

confidence: 99%

The concept of the topological atom within the MO‐LCAO approach. II. On the nature of the nephelauxetic effect

Proinov

Neshey

Andreev

1988

Int J of Quantum Chemistry

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show abstract

Analysis of the ground-state spin-Hamiltonian parameters and electric field effect for the3d2ions (V3

Pontnau¹,

Adde²

1976

Phys. Rev. B

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On the effect of overlapping and covalency on the optical spectra of impurity ions in dielectric crystals

Cited by 2 publications

References 16 publications

The concept of the topological atom within the MO‐LCAO approach. II. On the nature of the nephelauxetic effect

The concept of the topological atom within the MO‐LCAO approach. II. On the nature of the nephelauxetic effect

Analysis of the ground-state spin-Hamiltonian parameters and electric field effect for the3d2ions (V3

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