1 citations · 1 across the 3 of their papers we have counts for
10 papers
Spectroscopic photorelaxation signatures in pyrazine from nonadiabatic dynamics simulations with coupled cluster theory
Sara Angelico, Eirik F. Kjønstad, Yi-Ping Chang +3
Despite extensive theoretical and experimental efforts, the mechanisms underlying the ultrafast relaxation of pyrazine after photoexcitation remain challenging to disentangle. Rece…
Can phaseless auxiliary-field quantum Monte Carlo with broken symmetry trials describe iron-sulfur clusters?
Eirik F. Kjønstad, Huanchen Zhai, James Shee +2
Phaseless auxiliary-field quantum Monte Carlo (AFQMC) has in several cases been found to perform well on strongly correlated systems. Here, we benchmark the method for three iron-s…
Tensor Network Loop Cluster Expansions for Quantum Many-Body Problems
Johnnie Gray, Gunhee Park, Glen Evenbly +3
We analyze the tensor network loop cluster expansion, introduced in [G. Park, J. Gray, and G. K.-L. Chan, Phys. Rev. B 112, 174310 (2025)] as a systematic correction to belief prop…
eT 2.0: An efficient open-source molecular electronic structure program
Sarai Dery Folkestad, Eirik F. Kjønstad, Alexander C. Paul +34
The eT program is an open-source electronic structure program with emphasis on performance and modularity. As its name suggests, the program features extensive coupled cluster capa…
Fermionic tensor network contraction for arbitrary geometries
Yang Gao, Huanchen Zhai, Johnnie Gray +5
We describe our implementation of fermionic tensor network contraction on arbitrary lattices within both a globally ordered and locally ordered formalism. We provide a pedagogical…
Systematic improvement of trial states in phaseless auxiliary-field quantum Monte Carlo
Eirik F. Kjønstad, Yann Damour, Sandeep Sharma +1
We extend the use of coupled cluster (CC) trial states in the phaseless auxiliary-field quantum Monte Carlo (AFQMC) method beyond single and double excitations to include both trip…