cTIntermediate

Table of Contents

1. Brief description

cTIntermediate are a set of tensors used for the computation of the (cT) correlation energy discussed in PerturbativeTriples

2. Specification

The cTIntermediate are generated by the PerturbativeCT algorithm and contain two tensors, \[ J^{ab}_{ci}, J^{ij}_{ak} \] which are of sizes \( N_v^3 N_o \) and \( N_o^3 N_v \) respectively. The definition of the cTIntermediate tensors is given in the SI of Ref. (Masios et al. 2023).

3. Literature

Masios, Nikolaos, Andreas Irmler, Tobias Schäfer, and Andreas Grüneis. 2023. “Averting the Infrared Catastrophe in the Gold Standard of Quantum Chemistry.” Phys. Rev. Lett. 131 (October). American Physical Society: 186401. doi:10.1103/PhysRevLett.131.186401.

Created: 2025-09-04 Thu 15:35