20 citations · 27 across the 2 of their papers we have counts for
4 papers
Sulfur and sulfur-oxide compounds as potential optically active defects on SWCNTs
Tina N. Mihm, K. Jing Trerayapiwat, Xinxin Li +2
Semiconducting single-walled carbon nanotubes (SWCNT) functionalized with covalent defects are a promising class of optoelectronic materials with strong, tunable photoluminescence…
Accelerating convergence to the thermodynamic limit with twist angle selection applied to methods beyond many-body perturbation theory
Tina N. Mihm, William Z. Van Benschoten, James J. Shepherd
We recently developed a scheme to use low-cost calculations to find a single twist angle where the couple cluster doubles energy of a single calculation matches the twist-averaged…
Power laws used to extrapolate the coupled cluster correlation energy to the thermodynamic limit
Tina N Mihm, Bingdi Yang, James J. Shepherd
Recent calculations using coupled cluster on solids have raised discussion of using a power law to fit the correlation energy when extrapolating to the thermodynamic lim…
An optimized twist angle to find the twist-averaged correlation energy applied to the uniform electron gas
Tina N Mihm, Alexandra R. McIsaac, James J. Shepherd
We explore an alternative to twist averaging in order to obtain more cost-effective and accurate extrapolations to the thermodynamic limit (TDL) for coupled cluster doubles (CCD) c…