Abstract
An ab initio self‐consistent computation has been performed on the permanganate ion (MnO 4−) in a large basis set of contracted gaussian functions. The ground state description as well as those of the first two excited states are discussed and compared with those obtained experimentally from photoelectron spectroscopy, ESCA, optical spectroscopy and magnetic circular dichroism.
Original language | English |
---|---|
Pages (from-to) | 725-737 |
Number of pages | 13 |
Journal | International Journal of Quantum Chemistry |
Volume | 7 |
Issue number | 4 |
DOIs | |
State | Published - Jul 1973 |