Sentence examples for configuration interaction from inspiring English sources

A Full Configuration Interaction (Full-CI) algorithm is described.

Quadratic configuration interaction with single and double and perturbative triple excitations.

EHF, binding energy by Hartree-Fock approximation; ECI, binding energy by configuration interaction approach.

Our implementation relies on the general Brillouin theorem (GBT) and super configuration interaction (SCI) processes.

The multiplet splitting and configuration interaction are substantial in calculating the theoretical spectrum.

A parallel spin-orbit configuration interaction (SOCI) code has been developed.

Note that one method can be part of multiple classes (e.g. Multi-reference configuration interaction, hybrid methods).

Method of calculation is based on a combination of conventional configuration interaction (CI) method and many-body perturbation theory (MBPT).

Here, we show the applicability of a nonorthogonal configuration interaction approach for the calculation of this electronic coupling.

The importance of configuration interaction has been manifested in reproducing the 3d transition metal L2,3 XANES.

A more accurate model of tight-binding theory together with an applicable configuration interaction is utilized for such purposes.