Main /
## Relativistic Corrections
- using perturbation theory based on the usual
*mass-velocity*and*one-electron Darwin*terms (MVD1), - using perturbation theory based on
*mass-velocity*and*one-*and*two-electron Darwin*terms (MVD2), - using the so-called
*direct perturbation theory*approach (DPT) in second-order (DPT2), - using
*higher-order direct perturbation theory*(DPT4 with spin-orbit effects included, scalar-relativistic treatment at DPT6, not part of the public release), - using a
*spin-free Dirac-Coulomb*(sfDC) approach (not part of the public release), - using the
*spin-free X2C-1e*(SFX2C-1e) approach.
Note that a finite-nucleus model based on a Gaussian charge distribution is available for relativistic calculations. |

Page last modified on March 04, 2014, at 11:00 PM

This page has been visited 202 times since April 2020.

CFOUR is partially supported by the U.S. National Science Foundation.