7 papers
Stochastic Cluster Expansion for Excited State Energies
Annabelle Canestraight, Russell Miller, Libor Veis +1
Excited-state electronic structure in strongly correlated systems remains challenging due to the exponential scaling of the many-body Hilbert space and the difficulty of constructi…
A Stochastic Cluster Expansion for Electronic Correlation in Large Systems
Annabelle Canestraight, Anthony J. Dominic, Andres Montoya-Castillo +2
Accurate many-body treatments of condensed-phase systems are challenging because correlated solvers such as full configuration interaction (FCI) and the density matrix renormalizat…
Influence of Markovianity and self-consistency on time-resolved spectral functions of driven quantum systems
Thomas Blommel, M. Rey Lambert, Michael A. Kurniawan +2
We present a systematic comparison of the real-time Dyson expansion (RTDE) with established non-equilibrium Green's function approaches for simulating driven, interacting quantum s…
Renormalization of States and Quasiparticles in Many-body Downfolding
Annabelle Canestraight, Zhen Huang, Vojtech Vlcek
We explore the principles of many-body Hamiltonian complexity reduction via downfolding on an effective low-dimensional representation. We present a unique measure of fidelity betw…
Delocalization of Quasiparticle Moiré States in Twisted Bilayer hBN
Arsineh Apelian, Annabelle Canestraight, Songyuan Liu +1
Twisted bilayers host many emergent phenomena in which the electronic excitations (quasiparticles - QPs) are closely intertwined with the local stacking order. By inspecting twiste…
Efficient Quasiparticle Determination beyond the Diagonal Approximation via Random Compression
Annabelle Canestraight, Xiaohe Lei, Khaled Ibrahim +1
Calculations of excited states in Green's function formalism often invoke the diagonal approximation, in which the quasiparticle states are taken from a mean-field calculation. Her…
Exceptional spatial variation of charge injection energies on plasmonic surfaces
Xiaohe Lei, Annabelle Canestraight, Vojtech Vlcek
Charge injection into a molecule on a metallic interface is a key step in many photo-activated reactions. The energy barrier for injection is paralleled with the lowest particle an…