It has already been shown that the use of the localized many-body perturbation theory (LMBPT) makes its possible to calculate the interaction energy at the correlated level in a straightfoward way. In this article, we show that the correlated part of the interaction energy, furthermore, can simply be decomposed into dispersion and charge-transfer contributions using the LMBPT scheme. The CH2O + NH3 model system was chosen for the above study.
No takes yet. Share an insight, caveat, or question.
Kozmutza et al. (1996) studied this question.
Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context: