3 papers
cond-mat.mtrl-sci2026
LDA-1/2 for Molecular Systems: A Real-Space Finite-Element Benchmark on the GW100 Set
Dongming Li, Niamh Matthews, Qingchuan Sang +1
The LDA-1/2 method provides an efficient correction to semilocal density functional theory for improving ionization energies and band gaps, yet its application to molecular systems…
cond-mat.str-el2026
QAssemble: A Pure Python Package for Quantum Many-Body Theory
Seongjun Mo, Dongming Li, Mancheon Han +5
QAssemble is a pure-Python package for the quantum many-body problem. It implements various functional approaches, such as tight-binding, Hartree-Fock, and GW approximations within…
physics.comp-ph2024
FEAST nonlinear eigenvalue algorithm for quasiparticle equations
Dongming Li, Eric Polizzi
The use of Green's function in quantum many-body theory often leads to nonlinear eigenvalue problems, as Green's function needs to be defined in energy domain. The approximati…