Abstract

Contributions from high-order (non-perturbative triple and quadruple) cluster amplitudes to the dissociation energies, equilibrium distances, and vibrational constants for the ground states of van der Waals dimers Hg2_2 and Cn2_2 are evaluated. The incorporation of these contributions into the results of large-scale CCSD(T) calculations leads to non-negligible corrections of the computed molecular constants for Hg2_2 (6% for the dissociation energy), and enables one to attain perfect agreement with the experimental values.

Explore this paper’s authors, topics and related work.

Building this map preview

BZPEER is loading the nearby papers, people, topics and institutions for this page.

Reviews 0

Write a reviewWrite

No reviews yet.

Discussion 0

Add a commentWrite

No comments yet.