16 citations · 45 across the 9 of their papers we have counts for
9 papers
Resolving Finite-Size Errors in EOM-CCSD Band Gaps of Solids with Interacting-Bath Dynamical Embedding Theory
Jiachen Li, Christopher Hillenbrand, Christian Venturella +2
Periodic equation-of-motion coupled-cluster theory with single and double excitations (EOM-CCSD) has shown promise for quantitative calculations of band structures in solids. Howev…
Low-Scaling Many-Body Green's Function Calculations for Molecular Systems via Interacting-Bath Dynamical Embedding Theory
Christian Venturella, Jiachen Li, Tianyu Zhu
We present a molecular extension of our recently proposed Green's function embedding method, interacting-bath dynamical embedding theory (ibDET), for computing charged excitation e…
Derivative Discontinuity in Many-Body Perturbation Theory and Chemical Potentials in Random Phase Approximation
Jiachen Li, Weitao Yang
We derive analytical expressions for chemical potentials within the random phase approximation (RPA), equivalently the energy functional evaluated using non interacting Green'…
LibppRPA: An Open-Source Library for Particle-Particle Random Phase Approximation
Jincheng Yu, Jiachen Li, Chaoqun Zhang +2
The accurate description of electron correlation and excitation energies remains a fundamental challenge in quantum chemistry. The particle-particle random phase approximation (ppR…
Accurate and Efficient Prediction of Double Excitation Energies Using the Particle-Particle Random Phase Approximation
Jincheng Yu, Jiachen Li, Tianyu Zhu +1
Double excitations are crucial to understanding numerous chemical, physical, and biological processes, but accurately predicting them remains a challenge. In this work, we explore…
Energy-Specific Bethe-Salpeter Equation Implementation for Efficient Optical Spectrum Calculations
Christopher Hillenbrand, Jiachen Li, Tianyu Zhu
We present an energy-specific Bethe-Salpeter equation (BSE) implementation for efficient core and valence optical spectrum calculations. In energy-specific BSE, high-lying excitati…
Unified Deep Learning Framework for Many-Body Quantum Chemistry via Green's Functions
Christian Venturella, Jiachen Li, Christopher Hillenbrand +3
Quantum many-body methods provide a systematic route to computing electronic properties of molecules and materials, but high computational costs restrict their use in large-scale a…
Particle-Particle Random Phase Approximation for Predicting Correlated Excited States of Point Defects
Jiachen Li, Yu Jin, Jincheng Yu +2
The particle-particle random phase approximation (ppRPA) within the hole-hole channel was recently proposed as an efficient tool for computing excitation energies of point defects…
Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
Jiachen Li, Tianyu Zhu
Quantitative simulation of electronic structure of solids requires treating local and non-local electron correlations on an equal footing. We present a new ab initio formulation of…