18 citations · 47 across the 3 of their papers we have counts for
5 papers
Quantum chemistry with Coulomb Sturmians: Construction and convergence of Coulomb Sturmian basis sets at Hartree-Fock level
Michael F. Herbst, James Emil Avery, Andreas Dreuw
The first discussion of basis sets consisting of exponentially decaying Coulomb Sturmian functions for modelling electronic structures is presented. The proposed basis set construc…
Towards quantum-chemical method development for arbitrary basis functions
Michael F. Herbst, Andreas Dreuw, James Emil Avery
We present the design of a flexible quantum-chemical method development framework, which supports employing any type of basis function. This design has been implemented in the ligh…
Fusion of Array Operations at Runtime
Mads R. B. Kristensen, Simon A. F. Lund, Troels Blum +1
We address the problem of fusing array operations based on criteria such as shape compatibility, data reusability, and communication. We formulate the problem as a graph partition…
Chains, Antichains, and Complements in Infinite Partition Lattices
James Emil Avery, Jean-Yves Moyen, Pavel Ruzicka +1
We consider the partition lattice on any set of transfinite cardinality and properties of whose analogues do not hold for finite cardinalities. Assuming the Axiom o…
Visualizing automorphisms of graph algebras
James Emil Avery, Rune Johansen, Wojciech Szymanski
Graph C*-algebras have been celebrated as C*-algebras that can be seen, because many important properties may be determined by looking at the underlying graph. This paper introduce…