✦ LIBER ✦
The “ligand field” energy differences between 4f orbitals are mainly provided by the kinetic energy operator
✍ Scribed by C.K. JØrgensen; M. Faucher; D. Garcia
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 544 KB
- Volume
- 128
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
The order of increasing antibonding energy of the 4f orbitals is calculated in nine crystals from the operator of kinetic energy with a reliability around 0.9 (excepting Nd,O,S).
The energy differences seem scaled with factors close to 1.2, and the ratio between the antibonding effect and the square of the overlap integral is shown to be somewhat higher than 100 eV. Little necessity seems to remain for adding the non-spherical part of the Madelung potential.