88 citations · 587 across the 37 of their papers we have counts for
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Transition-Potential Coupled Cluster
Megan E. Simons, Devin A. Matthews
The problem of orbital relaxation in computational core-hole spectroscopies, including x-ray absorption and x-ray photoionization, has long plagued linear response approaches, incl…
A Critical Analysis of Least-Squares Tensor Hypercontraction Applied to MP3
Devin A. Matthews
The least-squares tensor hypercontraction (LS-THC) approach is a promising method of reducing the high polynomial scaling of wavefunction methods, for example those based on many-b…
Analytic Gradients of Approximate Coupled Cluster Methods with Quadruple Excitations
Devin A. Matthews
The analytic gradient theory for both iterative and non-iterative coupled-cluster approximations that include connected quadruple excitations is presented. These methods include, i…
Accelerating the Convergence of Higher-Order Coupled Cluster Methods II: Coupled Cluster Equations and Dynamic Damping
Devin A. Matthews
The method of sub-iteration, which was previously applied to the higher-order coupled cluster amplitude equations, is extended to the case of the coupled cluster equations. The…
EOM-CC Methods with Approximate Triple Excitations for NEXAFS and XPS
Devin A. Matthews
A number of iterative and perturbative approximations to the full equation-of-motion coupled cluster method with single, double, and triple excitations (EOM-CCSDT) are evaluated in…