Related papers: Excited State Absorption: Reference Oscillator Str…
We have measured the electric field modulated absorption of a sample of single-walled nanotubes (SWNT) suspended in a solid polyvinyl alcohol matrix. The electroabsorption (EA) spectrum roughly follows the first derivative of the absorption…
A striking example of the need to accurately capture states of double-excitation character in molecules is seen in predicting photo-induced dynamics in small polyenes. Due to the coupling of electronic and nuclear motions,the dark 2$^1$Ag…
We report 65 tesla magneto-absorption spectroscopy of exciton Rydberg states in the archetypal monolayer semiconductor WSe$_2$. The strongly field-dependent and distinct energy shifts of the 2s, 3s, and 4s excited neutral excitons permits…
The time-dependent density functional theory (TDDFT) has been broadly used to investigate the excited-state properties of various molecular systems. However, the current TDDFT heavily relies on outcomes from the corresponding ground-state…
Accurately describing excited states within Kohn-Sham (KS) density functional theory (DFT), particularly those which induce ionization and charge transfer, remains a great challenge. Common exchange-correlation (xc) approximations are…
State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away from molecular equilibria. However, its accuracy and…
Nonadiabatic effects in chemical reaction at metal surfaces, due to excitation of electron-hole pairs, stand at the frontier of the studies of gas-surface reaction dynamics. However, the first principles description of electronic excitation…
The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and Sham in the mid-1960s, is based upon the idea that the complicated N-electron wavefunction can be replaced with the mathematically simpler 1-electron…
We present a study of the energy resolution of transition-edge sensors (TESs) for the detection of electrons in the 100 eV kinetic energy range. The TES is a Ti-Au bilayer with an active area of $(60 \times 60)$ $\mu \text{m}^2$ and a…
We report the first theoretical calculations of excited state absorptions (ESAs) from the singlet and triplet excitons, as well as the key intermediate in the singlet fission (SF) process, the spin singlet multiexciton triplet-triplet…
Linear response time dependent density functional theory (TDDFT), which builds upon configuration interaction singles (CIS) and TD-Hartree-Fock (TDHF), is the most widely used class of excited state quantum chemistry methods and is often…
We discuss an efficient approach to excited electronic states within ab-initio many-body perturbation theory (MBPT). Quasiparticle corrections to density-functional theory result from the difference between metallic and non-metallic…
In 2024, Texas operators observed 23-Hz oscillations in real power measurements close to a large electronic load (LEL). Oscillations emerged when the load's power consumption reached approximately 320 MW level and subsided as the active…
Continuous U(1) gauge symmetry, which guarantees the conservation of the total excitations in linear bosonic systems, will be broken when it comes to the strong-coupling regime where the rotation wave approximation (RWA) fails. Here we…
The $\Delta$SCF DFT approach defines the system energy as a function of orbital occupancy. Inspired by Landau Fermi liquid theory, we develop an occupancy extrapolation (OE) method that captures excited-state energies via a Taylor expansion…
We introduce the multistate iterative qubit coupled cluster (MS-iQCC) method, a quantum-inspired algorithm that runs efficiently on classical hardware and is designed to predict both ground and excited electronic states of molecules.…
Entanglement entropy (EE) of a state is a measure of correlation or entanglement between two parts of a composite system and it may show appreciable change when the ground state (GS) undergoes a qualitative change in a quantum phase…
We propose concrete protocols to realize quantum criticality due to excited-state quantum phase transitions (ESQPTs) experimentally in presumably the simplest and most resilient system involving a single trapped ion oscillating in a…
Electron transfer (ET) between primary electron donors and acceptors is modeled in the photosystem II reaction center (RC). Our model includes (i) two discrete energy levels associated with donor and acceptor, interacting through a…
We propose a scheme for entangled state measurement at flux qubits (quantum bits) depending on the sensitivity measurement of a DC-SQUID (Superconducting QUantum Interference Device). The DC-SQUID is used as a flux qubit readout device. The…