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20082026
most citedNeutral and charged excitations in carbon fullerenes from first-principles many-body theories

88 citations · 198 across the 8 of their papers we have counts for

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cond-mat.mtrl-sci2010★ 15 cited

Quantum Monte Carlo Calculations of Dihydrogen Binding Energetics on Ca Cations: an Assessment of Errors in Density Functionals for Weakly Bonded Systems

Michal Bajdich, Fernando A. Reboredo, P. R. C. Kent

We investigate the binding of single and quadruple hydrogen molecules on a positively charged Ca ion. By comparing with benchmark quantum Monte Carlo (QMC) calculations we demonstr…