Low Rank Approximation in Electron Excitation Calculations - IPAM at UCLA
Institute for Pure & Applied Mathematics (IPAM) via YouTube
Overview
Syllabus
LOW RANK APPROXIMATION IN ELECTRON EXCITATION CALCULATIONS
Outline
Quantum many-body problem and electron excitation
Lehmann representation
BSE Hamiltonian
Integral computation: the matrix view
Interpolative Separable Density Fitting
Computing ISDF
Take advantage of separability
Choosing interpolation points
Extended (periodic) systems
ISDF for periodic systems
Examples (non-periodic systems)
The ranks of pair product basis (CO)
Accuracy vs rank truncation (Six)
Optical absorption spectrum
ISDF Efficiency
Taught by
Institute for Pure & Applied Mathematics (IPAM)