2 papers
physics.chem-ph2026
Time-Dependent Relativistic Two-Component Equation-of-Motion Coupled-Cluster for Open-Shell Systems: TD-EA/IP-EOMCC
P. D. Varuna S. Pathirage, Stephen H. Yuwono, Xiaosong Li +1
We present a combined imaginary-time/real-time time-dependent (TD) approach for evaluating linear absorption spectra of open-shell systems at the electron attachment (EA) and ioniz…
physics.chem-ph2026
DDCCNet: Physics-enhanced Multitask Neural Networks for Data-driven Coupled-cluster
P. D. Varuna S. Pathirage, Konstantinos D. Vogiatzis
We present the data-driven coupled-cluster deep network (DDCCNet), a family of multitask, physics-enhanced deep learning architectures designed to predict coupled-cluster singles a…