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physics.comp-ph2023
Approximations of the Green's Function in Multiple Scattering Theory for Crystalline Systems
Xiaoxu Li, Huajie Chen
The multiple scattering theory (MST) is a Green's function method that has been widely used in electronic structure calculations for crystalline disordered systems. The key propert…
physics.comp-ph2023★ 1 cited
A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion
Dexuan Zhou, Huajie Chen, Cheuk Hin Ho +1
The atomic cluster expansion (ACE) (Drautz, 2019) yields a highly efficient and intepretable parameterisation of symmetric polynomials that has achieved great success in modelling…