2 papers
physics.chem-ph2023
Automated, Consistent, and Even-handed Selection of Active Orbital Spaces for Quantum Embedding
Elena Kolodzeiski, Christopher J. Stein
A widely used strategy to reduce the computational cost in quantum-chemical calculations is to partition the system into an active subsystem, which is the focus of the computationa…
cond-mat.mes-hall2019
Inelastic electron tunneling spectroscopy for probing strongly correlated many-body systems by scanning tunneling microscopy
Fabian Eickhoff, Elena Kolodzeiski, Taner Esat +7
We present an extension of the tunneling theory for scanning tunneling microcopy (STM) to include different types of vibrational-electronic couplings responsible for inelastic cont…