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physics.chem-ph2023
Machine Learning Many-Body Green's Functions for Molecular Excitation Spectra
Christian Venturella, Christopher Hillenbrand, Jiachen Li +1
We present a machine learning (ML) framework for predicting Green's functions of molecular systems, from which photoemission spectra and quasiparticle energies at quantum many-body…
physics.chem-ph2023★ 21 cited
Linear Scaling Calculations of Excitation Energies with Active-Space Particle-Particle Random Phase Approximation
Jiachen Li, Jincheng Yu, Zehua Chen +1
We developed an efficient active-space particle-particle random phase approximation (ppRPA) approach to calculate accurate charge-neutral excitation energies of molecular systems.…