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…
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…
High-Order Spectral Simulation of Dispersive Two-Dimensional Materials
David Nicholls, Tianyu Zhu
Over the past twenty years, the field of plasmonics has been revolutionized with the isolation and utilization of two--dimensional materials, particularly graphene. Consequently th…
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…