2 papers
physics.chem-ph2025
Formal O(N3) scaling GW calculations by block tensor decomposition for large molecule systems
Yueyang Zhang, Wei Wu, Peifeng Su
Within the framework of many-body perturbation theory based on Green's functions, the approximation has emerged as a pivotal method for computing quasiparticle energies and ex…
physics.chem-ph2025
Block Tensor Decomposition: A dual grid scheme with formal O(N3) for THC decomposition of molecular systems
Yueyang Zhang, Xuewei Xiong, Wei Wu +1
Accurate and fast treatment of electron-electron interactions remains a central challenge in electronic structure theory because post-Hartree-Fock methods often suffered from the c…