Publication Date:
2018-12-13
Description:
Author(s): B. G. A. Brito, G.-Q. Hai, and Ladir Cândido Using fixed-node diffusion quantum Monte Carlo (DMC) simulation we investigate the structural properties and energetics of the linear and cyclic carbon clusters C n for n ≤ 10 . We calculate the binding energy, the electron correlation energy, the dissociation energy, and the second difference in energy... [Phys. Rev. A 98, 062508] Published Wed Dec 12, 2018
Keywords:
Atomic and molecular structure and dynamics
;
high-precision measurements
Print ISSN:
1050-2947
Electronic ISSN:
1094-1622
Topics:
Physics