Modeling intermolecular Coulombic decay with non-Hermitian real-time time-dependent density functional theory
YS Wang, JX Zhong Manis, MC Rohan… - The Journal of …, 2024 - ACS Publications
In this work, we investigate the capability of using real-time time-dependent density
functional theory (RT-TDDFT) in conjunction with a complex absorbing potential (CAP) to …
functional theory (RT-TDDFT) in conjunction with a complex absorbing potential (CAP) to …
[HTML][HTML] Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green's functions
In this paper, we analyze the properties of the recently proposed real-time equation-of-
motion coupled-cluster (RT-EOM-CC) cumulant Green's function approach [Rehr et al., J …
motion coupled-cluster (RT-EOM-CC) cumulant Green's function approach [Rehr et al., J …
Real-Time Coupled Cluster Theory with Approximate Triples
The formalism of real-time (RT) methods has been well-established during recent years,
while no inclusion beyond the double excitation has been discussed. In this article, we …
while no inclusion beyond the double excitation has been discussed. In this article, we …