|
| << vorige |
Tijdschrift beschrijving
Alle jaargangen van het bijbehorende tijdschrift
Alle afleveringen van het bijbehorende jaargang
Alle artikelen van de bijbehorende aflevering
Details van artikel 12 van 12 gevonden artikelen
| Titel: |
The description of many-electron atoms (Z ≤ 18) using analytically derived screening parameters |
| Auteur: |
Fernandez, G. Solanilla, R. Romeo, M. Bidegain, y. Rocco, H.O. Di |
| Verschenen in: |
Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering |
| Paginering: | Jaargang 31 (1996) nr. 3 pagina's 539-552 |
| Jaar: |
1996-03 |
| Inhoud: |
There exist many works devoted to Slater Type Orbitals (STO) and the derivation of their screening constants. Several of these studies produce completely wrong binding energy values whereas some others are presented in tabular form and/or prove to be useful only for neutral atoms. So far, different rules were proposed and adopted to compute screening parameters: by means of spectroscopic fittings, phenomenologically or through SCF calculations. In this work we derive screening constants for both neutrals and ions making use of a simple analytical method. It is also shown that an ordinary assertion found in many papers and textbooks is rather misleading and therefore, must be carefully handled. It is definitely not true that the best results are obtained by orthonormalization of single term basis functions: those screening constants useful for STO cannot be applied on orthonormalized functions, at least when estimating binding energies of the outermost shell. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 12 van 12 gevonden artikelen
| << vorige |