59 citations · 377 across the 38 of their papers we have counts for
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Moreau-Yosida-based Kohn-Sham Inversion for Periodic Systems
Vebjørn H. Bakkestuen, Michael F. Herbst, Vegard Falmår +2
Density-potential inversion for periodic systems within Moreau-Yosida-regularised density-functional theory is investigated, both theoretically and numerically. We develop the fram…
Coupled-Cluster Theory Revisited. Part II: Analysis of the single-reference Coupled-Cluster equations
Mihály A. Csirik, Andre Laestadius
In a series of two articles, we propose a comprehensive mathematical framework for Coupled-Cluster-type methods. In this second part, we analyze the nonlinear equations of the sing…
Coupled-Cluster Theory Revisited. Part I: Discretization
Mihály A. Csirik, Andre Laestadius
In a series of two articles, we propose a comprehensive mathematical framework for Coupled-Cluster-type methods. These methods aim at accurately solving the many-body Schrodinger e…
Analysis of The Tailored Coupled-Cluster Method in Quantum Chemistry
Fabian M. Faulstich, Andre Laestadius, Örs Legeza +2
In quantum chemistry, one of the most important challenges is the static correlation problem when solving the electronic Schrödinger equation for molecules in the Born--Oppenheimer…
Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry
Andre Laestadius, Simen Kvaal
The mathematical foundation of the so-called extended coupled-cluster method for the solution of the many-fermion Schrödinger equation is here developed. We prove an existence and…