Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N-representability conditions.

Alcoba, Diego R

Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N-representability conditions. [electronic resource] - The Journal of chemical physics Jan 2018 - 024105 p. digital

Publication Type: Journal Article

1089-7690

10.1063/1.5008811 doi