Density functional study of iron(II)-por
✍
B. Delley
📂
Article
📅
1991
🏛
Elsevier Science
🌐
English
⚖ 747 KB
Electron densities and state energies have been calculated for iron(porphine (porphinatoiron( II)) or Fe(ll)P and for (meso-tetraphenyl-porphinato)iron (ll) or FeTPP within the local density approximation. A ground state of 'E symmetry separated by 0.7 eV from the 'A first excited state has been fo