Abstract
The first implementation of analytical first-order one-electron molecular properties at the Dirac-Coulomb MP2 level of theory is described. The formalism presented allows for the use of inactive spinors. The method has been applied to the calculation of parity-violation energies in H
Original language | English |
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Pages (from-to) | 81-95 |
Journal | Chemical Physics |
Volume | 311 |
Issue number | 1-2 |
DOIs | |
Publication status | Published - 2005 |