Abstract
A demonstration of kinetic balance failure in heavily contracted basis sets is given. Other possible methods of constructing small component basis sets for 4-component relativistic calculations are discussed. The position of the additional negative energy levels in extended balance calculations in some recent many-electron calculations is examined.
| Original language | English |
|---|---|
| Pages (from-to) | 131-139 |
| Number of pages | 9 |
| Journal | International Journal of Quantum Chemistry |
| Publication status | Published - 1991 |