Cohesion Energetics of Carbon Allotropes : Quantum Monte Carlo Study

Hyeondeok Shin, Sinabro Kang, Jahyun Koo +3

We have performed quantum Monte Carlo calculations to study the cohesion energetics of carbon allotropes, including $s{p}^3$-bonded diamond, $s{p}^2$-bonded graphene, $sp$-$s{p}^2$ hybri…