Browsing Kjemisk institutt by Author "Faulstich, Fabian Maximilian"

Now showing items 1-5 of 5

  • Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry 
    Faulstich, Fabian Maximilian; Laestadius, Andre; Legeza, Örs; Schneider, Reinhold; Kvaal, Simen (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
    n 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 approximation. In this article, we analyze ...
  • Discontinuous Galerkin discretization for quantum simulation of chemistry 
    McClean, Jarrod R.; Faulstich, Fabian Maximilian; Zhu, Qinyi; O'Gorman, Bryan; Qiu, Yiheng; White, Steven R.; Babbush, Ryan; Lin, Lin (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
    All-electron electronic structure methods based on the linear combination of atomic orbitals method with Gaussian basis set discretization offer a well established, compact representation that forms much of the foundation ...
  • Mathematical Aspects of Coupled-Cluster Theory in Chemistry 
    Faulstich, Fabian Maximilian (Doctoral thesis / Doktoravhandling, 2020)
  • One-dimensional Lieb–Oxford bounds 
    Laestadius, Andre; Faulstich, Fabian Maximilian (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)
    We investigate and prove Lieb–Oxford bounds in one dimension by studying convex potentials that approximate the ill-defined Coulomb potential. A Lieb–Oxford inequality establishes a bound of the indirect interaction energy ...
  • The coupled-cluster formalism – a mathematical perspective 
    Laestadius, Andre; Faulstich, Fabian Maximilian (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
    The Coupled-Cluster (CC) theory is one of the most successful high precision methods used to solve the stationary Schrödinger equation. In this article, we address the mathematical foundation of this theory with focus on ...