7 citations · 16 across the 8 of their papers we have counts for
8 papers
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…
Shallow Quantum Scalar Products with Phase Information
Lila Cadi Tazi, David Muñoz Ramo, Alex J. W. Thom
The measurement of scalar products between two vectors is a common task in scientific computing and, by extension, in quantum computing. In this work, we introduce two alternative…
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…
Targeting spectroscopic accuracy for dispersion bound systems from ab initio techniques: translational eigenstates of Ne@C
K. Panchagnula, D. Graf, E. R. Johnson +1
We investigate the endofullerene system Ne@C, by constructing a three-dimensional Potential Energy Surface (PES) describing the translational motion of the Ne atom. We compa…
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…
Translational eigenstates of He@C from four-dimensional \textit{ab initio} Potential Energy Surfaces interpolated using Gaussian Process Regression
K. Panchagnula, D. Graf, F. E. A. Albertani +1
We investigate the endofullerene system He@C with a four-dimensional Potential Energy Surface (PES) to include the three He translational degrees of freedom and C…