相关论文: Excited states of linear polyenes

Direct mass measurements of the low-spin $3/2^{(-)}$ and high-spin $13/2^{(+)}$ states in the neutron-deficient isotopes $^{195}$Po, $^{197}$Po, and high-spin $13/2^{(+)}$ state in $^{199}$Po were performed with the Penning-trap mass…

Recent investigations of the two-dimensional spin-1/2 checkerboard lattice favor a valence bond crystal with long range quadrumer order [J.-B. Fouet et al., preprint cond-mat/0108070]. Starting from the limit of isolated quadrumers, we…

We study the electronic resonant states of H3 with energies above the potential energy surface of the H3+ ground state. These resonant states are important for the dissociative recombination of H3+ at higher collision energies, and previous…

In quasi-1D $\pi$-conjugated polymers such as \emph{trans}-polyacetylene and polyenes, electron correlation effects determine the "reversed" excited state ordering in which the lowest two-photon $2A_{g}$ state lies below the lowest…

Exciton effects on conjugated polymers are investigated in the soliton lattice system. We use the Su-Schrieffer-Heeger model with long-range Coulomb interactions treated by the single-excitation configuration-interaction method. The soliton…

Exciton polaritons in two-dimensional semiconductors inside microcavities are powerful platforms to explore hybrid light-matter quantum systems. Here, we study a macroscopic coherent population of the lowest energy state of…

Tetracene is an important conjugated molecule for device applications. We have used the diagrammatic valence bond method to obtain the desired states, in a Hilbert space of about 450 million singlets and 902 million triplets. We have also…

The tight-binding model is closely associated with the modified random-phase approximation to thoroughly explore the electron-electron interactions in trilayer AB-stacked graphene. The intralayer and interlayer atomic/Coulomb interactions…

We study energy relaxation in a phenomenological model for polymer built from rheological considerations: a one dimensional nonlinear lattice with dissipative couplings. These couplings are well known in polymer's community to be possibly…

We present a many-body theory for exciton-trion-polaritons in doped two-dimensional materials. Exciton-trion-polaritons are robust coherent hybrid excitations involving excitons, trions, and photons. Signatures of these polaritons have been…

Triplet excited state generation plays a pivotal role in photosensitizers, however the reliance on transition metals and heavy atoms can limit the utility of these systems. In this study, we demonstrate that an interplay of competing…

In this paper, we present a theoretical study of the nonlinear optical response of the newly discovered conjugated polymer poly(diphenyl)polyacetylene (PDPA). In particular, we compute the third-order nonlinear susceptibility corresponding…

The recently observed transient absorption of the lowest excited state of the special pair P* at 2710 cm-1 is assigned as a singlet which arises from the coupling of the two lowest triplets from the two dimer halves. INDO calculations are…

We use a simple Hubbard model to characterize the electronic excited states of the dibenzoterrylene (DBT) molecule; we compute the excited state transition energies and oscillator strengths from the ground state to several singlet excited…

The triaxiality in nuclear low-lying states has attracted great interests for many years. Recently, the reduced transition probabilities for levels near the ground state in $^{110}$Ru have been measured and provided strong evidences for a…

We study how polaronic states form as a function of time due to strong electron-phonon coupling, starting from a hot electron distribution which is representative of a photo-induced metallic state immediately after laser excitation. For…

We calculate the energy eigenvalues and eigenstates corresponding to coherent single and multiple excitations of an array of N identical qubits or two-level atoms (TLA's) arranged on the vertices of a regular polygon. We assume only that…

Electroactive polymers are smart materials that can be used as actuators, sensors, or energy harvesters. We focus on a pseudo trilayer based on PEDOT, a semiconductor polymer: the central part consists of two interpenetrating polymers and…

A practical high-accuracy relativistic method of atomic structure calculations for univalent atoms is presented. The method is rooted in the coupled-cluster formalism and includes non-perturbative treatment of single and double excitations…

We study the energy transfer in a classical dipole chain of $N$ interacting rigid rotating dipoles. The underlying high--dimensional potential energy landscape is analyzed in particular by determining the equilibrium points and their…