Browsing FAS Scholarly Articles by Keyword "excited states"
Now showing items 1-6 of 6
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A Correlated-Polaron Electronic Propagator: Open Electronic Dynamics beyond the Born-Oppenheimer Approximation
(American Institute of Physics, 2012)In this work, we develop an approach to treat correlated many-electron dynamics, dressed by the presence of a finite-temperature harmonic bath. Our theory combines a small polaron transformation with the second-order ... -
Novel Methods to Create Multielectron Bubbles in Superfluid Helium
(American Institute of Physics, 2011)An equilibrium multielectron bubble (MEB) in liquid helium is a fascinating object with a spherical two-dimensional electron gas on its surface. We discuss two ways in which they have been created. For MEBs that have been ... -
On the Alternatives for Bath Correlators and Spectral Densities from Mixed Quantum-Classical Simulations
(American Institute of Physics, 2012)We investigate on the procedure of extracting a “spectral density” from mixed QM/MM calculations and employing it in open quantum systems models. In particular, we study the connection between the energy gap correlation ... -
Structure and Spectroscopy of Ground and Excited States of LiYb
(American Institute of Physics, 2010)Multireference configuration interaction and coupled cluster calculations have been carried out to determine the potential energy curves for the ground and low-lying excited states of the LiYb molecule. The scalar relativistic ... -
Time-Dependent Density Functional Theory of Open Quantum Systems in the Linear-Response Regime
(American Institute of Physics, 2011)Time-dependent density functional theory (TDDFT) has recently been extended to describe many-body open quantum systems evolving under nonunitary dynamics according to a quantum master equation. In the master equation ... -
A Witness for Coherent Electronic vs Vibronic-Only Oscillations in Ultrafast Spectroscopy
(American Institute of Physics, 2012)We report a conceptually straightforward witness that distinguishes coherent electronic oscillations from their vibronic-only counterparts in nonlinear optical spectra of molecular aggregates. Coherent oscillations as a ...