相关论文: Excited states of linear polyenes
New ab initio potential energy surfaces for the doublet pi ground electronic state of the Ar-SH complex are presented, calculated at the RCCSD(T)/aug-cc-pV5Z level. Weakly bound rotation-vibration levels are calculated using coupled-channel…
We study electronic excitations of a degenerate gas of atoms trapped in pairs in an optical lattice. Local dipole-dipole interactions produce a long lived antisymmetric and a short lived symmetric superposition of individual atomic…
We study the entire energy spectrum of an electron droplet in the lowest Landau level. By exact diagonalization calculations, we find highly excited states in the middle of the spectrum that display unexpected density distribution and pair…
The ultrafast relaxation dynamics of tetracene following UV excitation to a bright singlet state S6 has been studied with time-resolved photoelectron spectroscopy. With the help of high-level ab-initio multireference perturbation theory…
The polarizabilities $\alpha$ (electric), $\beta$ (magnetic) and $\gamma_\pi$ (backward spin) of the nucleon are investigated in terms of degrees of freedom of the nucleon using recent results for the CGLN amplitudes and resonance couplings…
We investigate low-energy excitations of the one-dimensional half-filled SU(4) Hubbard model with an attractive on-site interaction U < 0 using the density matrix renormalization group method as well as a perturbation theory. We find that…
Collective excited states form in organic two-dimensional layers through the Coulomb coupling of the molecular transition dipole moments. They manifest as characteristic strong and narrow peaks in the excitation and emission spectra that…
In this paper, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the energies of a…
Electric dipole strength near the neutron separation energy significantly impacts nuclear structure properties and astrophysical scenarios. These excitations are complex in nature and may involve the so-called pygmy dipole resonance (PDR).…
Exciton and polaron pair dissociation is a key functional aspect of photovoltaic devices. To improve upon the current state of interfacial transport models, we augment the existing classical models of dielectric interfaces by incorporating…
The electromagnetic properties of low-lying states in $^{70}$Ge were investigated via multi-step Coulomb excitation of a $^{70}$Ge beam impinging on a $^{208}$Pb target at the ATLAS facility of the Argonne National Laboratory. A total of 27…
We apply the DMRG method to the Pariser-Parr-Pople hamiltonian and investigate the onset of dimerization. We deduce the parameters of the hopping term and the contribution of the sigma bonds from ab initio calculations on ethylene. Denoting…
Adiabatic potential energy curves of the 3sSigma+, 3tSigma+, 2sPi and 2tPi states correlating for large internuclear distance with the K(4s) + Li(2p) atomic asymptote were calculated. Very good agreement between the calculated and the…
Two-photon excitation is an attractive means for controlling chemistry in both space and time. Isoenergetic one- and two-photon excitations (OPE and TPE) in non-centrosymmetric molecules are often assumed to reach the same excited state…
Understanding interactions between excitons and correlated electronic states presents a fundamental challenge in quantum many-body physics. Here, we introduce a purely electronic model for the formation of exciton-polarons in moir\'e…
The electronic excitations of bilayer graphene (BLG) under a magnetic field are investigated with the use of the Peierls tight-binding model in conjunction with random-phase approximation (RPA). The interlayer atomic interactions,…
We consider an exactly solvable model for topological phases in (3+1)d whose input data is a strict 2-group. This model, which has a higher gauge theory interpretation, provides a lattice Hamiltonian realisation of the Yetter homotopy…
We extend our previous work [J. Chem. Phys, \textbf{136}, 124121], which described a spin-adapted (SU(2) symmetry) density matrix renormalization group (DMRG) algorithm, to additionally utilize general non-Abelian point group symmetries. A…
In this paper we present a detailed theory of the triplet states of oligoacenes containing up to seven rings, i.e., starting from naphthalene all the way up to heptacene. In particular, we present results on the optical absorption from the…
The excitation of the carbon $2^+$ state at 4.439 MeV by $70-150$ MeV electron impact and its subsequent decay to the ground state by photon emission is described within the distorted-wave Born approximation. The transition densities are…