51 citations · 657 across the 43 of their papers we have counts for
3 papers · 1 filter
Natural Orbital Non-Orthogonal Configuration Interaction
Daniel Graf, Alex J. W. Thom
Non-orthogonal configuration interaction (NOCI) is a generalization of the standard orthogonal configuration interaction (CI) method and offers a highly flexible framework for desc…
On the characteristics of helium filled nano-pores in amorphous silicon thin films
Bertrand Lacroix, Asunción Fernández, N. C. Pyper +2
The properties of helium-filled nanopores in amorphous silicon are elucidated by combining theoretical knowledge of helium electronic structure with the results of Scanning Transmi…
Rapidly convergent quantum Monte Carlo using a Chebyshev projector
Zijun Zhao, Maria-Andreea Filip, Alex J W Thom
The multi-reference coupled-cluster Monte Carlo (MR-CCMC) algorithm is a determinant-based quantum Monte Carlo (QMC) algorithm that is conceptually similar to Full Configuration In…