Analysis of the projected coupled cluster method in electronic structure calculation

DOI10.1007/s00211-009-0237-3zbMath1170.81043OpenAlexW1979353726MaRDI QIDQ841126

Reinhold Schneider

Publication date: 14 September 2009

Published in: Numerische Mathematik (Search for Journal in Brave)

Full work available at URL: https://depositonce.tu-berlin.de/handle/11303/15669

Mathematics Subject Classification ID

Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Many-body theory; quantum Hall effect (81V70) Applications to the sciences (65Z05) Molecular physics (81V55) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)

Related Items

Coupled-Cluster theory revisited ⋮ Coupled-Cluster theory revisited ⋮ Analysis of the single reference coupled cluster method for electronic structure calculations: the full-coupled cluster equations ⋮ Finite-size effects in periodic coupled cluster calculations ⋮ Coupled Cluster Theory: Toward an Algebraic Geometry Formulation ⋮ Analysis of the Extended Coupled-Cluster Method in Quantum Chemistry ⋮ Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018 ⋮ Introduction to First-Principle Simulation of Molecular Systems ⋮ An Adaptive Multiscale Approach for Electronic Structure Methods ⋮ Analysis of the Tailored Coupled-Cluster Method in Quantum Chemistry ⋮ Sparse grids approximation of Goldstone diagrams in electronic structure calculations

Cites Work

• On the regularity of the electronic Schrödinger equation in Hilbert spaces of mixed derivatives
• Handbook of Numerical Analysis IX. Numerical methods for fluids (Part 3)
• The multiconfiguration equations for atoms and molecules: charge quantization and existence of solutions
• Solutions of Hartree-Fock equations for Coulomb systems
• Solutions of the multiconfiguration equations in quantum chemistry
• Sharp regularity results for Coulombic many-electron wave functions
• Sparse grid spaces for the numerical solution of the electronic Schrödinger equation
• Schrödinger operators in the twentieth century
• On the eigenfunctions of many-particle systems in quantum mechanics
• From atoms to crystals: a mathematical journey
• BestN-term approximation in electronic structure calculations I. One-electron reduced density matrix
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