Energetics and Dynamics of the Low-Lying Electronic States of Constrained Polyenes: Implications for Infinite Polyenes by Christensen, Ronald L., Enriquez, Miriam M., Wagner, Nicole L., Peacock-Villada, Alexandra Y., Scriban, Corina, Polívka, Tomáš, Frank, Harry A., Birge, Robert R., Schrock, Richard Royce

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Toward Prediction of Nonradiative Decay Pathways in Organic Compounds I: The Case of Naphthalene Quantum Yields by Kohn, Alexander Wolfe, Lin, Zhou, Van Voorhis, Troy

“…The simplest application of the energy gap law is found to be inadequate to explain the rates of internal conversion (IC) or intersystem crossing (ISC)—the electronic properties of at least one higher lying electronic state (Sn or Tn) or one far-from-equilibrium geometry are typically needed to obtain accurate results. …”
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Ultrabroadband two-dimensional electronic spectroscopy reveals energy flow pathways in LHCII across the visible spectrum by Son, Minjung, Pinnola, Alberta, Bassi, Roberto, Schlau-Cohen, Gabriela S

“…In addition to the well-established, low-lying chlorophyll Qy bands, our results reveal additional pathways of energy relaxation on the higher-lying excited states involving the S<jats:sub>2</jats:sub> energy levels of carotenoids, including ultrafast carotenoid-to-chlorophyll energy transfer on 90-150 fs timescales.…”
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A Joint Experimental and Computational Study of the Negative Ion Photoelectron Spectroscopy of the 1-Phospha-2,3,4-Triazolate Anion, HCPN₃⁻ by Hou, Gao-Lei, Chen, Bo, Transue, Wesley J., Hrovat, David A., Cummins, Christopher C., Borden, Weston Thatcher, Wang, Xue-Bin

“…High level electronic structure calculations and Franck–Condon factor (FCF) simulations reveal that transitions from the ground state of the anion to two nearly degenerate, low-lying, electronic states, of the neutral HCPN₃• radical are responsible for the congested peaks at low binding energies in the NIPE spectrum. …”
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Negative Ion Photoelectron Spectroscopy of P₂N₃⁻: Electron Affinity and Electronic Structures of P₂N₃˙ by Hou, Gao-Lei, Chen, Bo, Hrovat, David A., Borden, Weston Thatcher, Wang, Xue-Bin, Transue, Wesley, Cummins, Christopher C

“…Ab initio electronic structure calculations reveal the existence of five, low-lying, electronic states in the neutral P₂N₃ radical. Calculation of the Franck-Condon factors (FCFs) for each anion-to-neutral electronic transition and comparison of the resulting simulated NIPE spectrum with the vibrational structure in the observed spectrum allows the first four excited states of P₂N₃ to be determined to lie 6.2, 6.7, 11.5, and 22.8 kcal mol⁻¹ above the ground state of the radical, which is found to be a 6π-electron, ²A₁, σ state.…”
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Förster resonance energy transfer, absorption and emission spectra in multichromophoric systems. I. Full cumulant expansions and system-bath entanglement by Ma, Jian, Cao, Jianshu

“…(iii) For the emission spectra, the cumulant expansion can give reliable results for localized systems, but fail to provide reliable spectra of the high-lying excited states of a delocalized system, when the system-bath coupling is large and the thermal energy is small. …”
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Negative ion photoelectron spectroscopy of P[subscript 2]N[subscript 3]−: electron affinity and electronic structures of P[subscript 2]N[subscript 3]˙ by Hou, Gao-Lei, Chen, Bo, Hrovat, David A., Borden, Weston Thatcher, Wang, Xue-Bin, Cummins, Christopher C, Transue, Wesley

“…Ab initio electronic structure calculations reveal the existence of five, low-lying, electronic states in the neutral P[subscript 2]N[subscript 3]˙ radical. …”
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Understanding the chemical bonding of ground and excited states of HfO and HfB with correlated wavefunction theory and density functional approximations by Ariyarathna, Isuru R, Duan, Chenru, Kulik, Heather J

“…<jats:p> Knowledge of the chemical bonding of HfO and HfB ground and low-lying electronic states provides essential insights into a range of catalysts and materials that contain Hf–O or Hf–B moieties. …”
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Roadmap on STIRAP applications by Barnum, Timothy J., Field, Robert W.

“…The subsequent articles discuss the experiments underway to demonstrate the potential of STIRAP for populating otherwise inaccessible high-lying Rydberg states of molecules, or controlling and cooling the translational motion of particles in a molecular beam or the polarization of angular-momentum states. …”
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