Path integral Monte Carlo study of (H2) <bold>n</bold>@C70 ( <bold>n</bold> = 1,2,3)

Path integral Monte Carlo study of (H₂)_n@C₇₀ ( n = 1,2,3)

Hao Yan^a), Zhang Hong†^b), Cheng Xin-Lu^a)

1D probability distribution P ( R ) for (a) one H₂ molecule and (b) two H₂ molecules in C₇₀, from the PIMC calculations.