13 citations · 18 across the 4 of their papers we have counts for
4 papers
Many-Body Second Order Green's Function Theory for Ab Initio Molecular Quantum Electrodynamics
Amirhosein Amini, Jaime Cerda, Leopoldo Mejía +1
In this work, we develop two many-body quantum electrodynamic methods to calculate the ground-state energies of strongly coupled light-matter molecular systems. Specifically, we ex…
Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's Function
Leopoldo Mejía, Sandeep Sharma, Roi Baer +2
Stochastic orbital techniques offer reduced computational scaling and memory requirements to describe ground and excited states at the cost of introducing controlled statistical er…
Stochastic Real-Time Second-Order Green's Function Theory for Neutral Excitations in Molecules and Nanostructures
Leopoldo Mejía, Jia Yin, David R. Reichman +3
We present a real-time second-order Green's function (GF) method for computing excited states in molecules and nanostructures, with a computational scaling of ), whe…
Microscopic Theory, Analysis, and Interpretation of Conductance Histograms in Molecular Junctions
Leopoldo Mejía, Pilar Cossio, Ignacio Franco
Molecular electronics break-junction experiments are widely used to investigate fundamental physics and chemistry at the nanoscale. Reproducibility in these experiments relies on m…