Related papers: Excited-state Forces within a First-principles Gre…
A phenomenological coupled exciton model is proposed in order to characterize optical excitations in extended dendrimers. An onsite exciton state is assigned at each phenyl rings and a nearest neighbor hopping integral which obeys the…
We use a normal-mode formalism to compute the response of a spherical, self-gravitating anelastic PREM-like Earth model to various excitation sources at the Slichter mode period. The formalism makes use of the theory of the Earth's free…
In the last several years, the Casimir energy for a variety of 1+1-dimensional integrable models has been determined from the exact S-matrix. It is shown here how to modify the boundary conditions to project out the lowest-energy state,…
The predictive power of the ab initio Bethe-Salpeter equation (BSE) approach, rigorously based on many-body Green's function theory but incorporating information from density functional theory, has already been demonstrated for the optical…
The photodissociation dynamics of N$_3^+$ excited from its $^3 \Sigma_{\rm g}^{-}$ ground to the first excited singlet and triplet states is investigated. Three dimensional potential energy surfaces for the $^1$A$'$, $^1$A$''$, and $^3$A$'$…
We report on accurate variational calculations of the Born-Oppenheimer potential for excited states of the hydrogen molecule with $\Pi$, $\Delta$, and $\Phi$ symmetries. The obtained potential energy curves reach the relative precision of…
The method of analytic continuation is used to find exact integral equations for a selection of finite-volume energy levels for the non-unitary minimal models $M_{2,2N+3}$ perturbed by their $\varphi_{13}$ operators. The N=2 case is studied…
Using the master equation we calculate the contribution of the excited state of a two-level atom to its interacting potential with a perfectly conducting wall at finite temperature. For low temperature, $\hbar \omega_0/k_B T = k_0…
The energy gap between the ground state and the first excited state of the one-dimensional attractive Bose-Hubbard Hamiltonian is investigated in connection with directed polymers in random media. The excitation gap \Delta is obtained by…
We study the optical response of VO2 in the M1 insulating phase using methods based on density functional theory in its most recent developments. We start from a hybrid functional approach which may be a good starting point to carry out…
We present a novel joint time-dependent density-functional theory for the description of solute-solvent systems in time-dependent external potentials. Starting with the exact quantum-mechanical action functional for both electrons and…
Several approximations are tested by calculating the ground-state energy and the energy of the first excited $0^{+}$ state using an exactly solvable model with two symmetric levels interacting via a pairing force. They are the BCS…
A model is proposed to study the hybrid exciton in a quantum dot-dendrimer systems. The semiconductor organic hybrid exciton is studied using a "real space" Green's function method and a diagrammatic technique. The energy of the hybrid…
We calculate interface states in semiconductor heterostructures with band inversion using a Green function approach and the so called {\em point interaction potentials}. Effects of external fields can be included in a straightforward…
Stimulated emission can be defined as the process when an incoming photon stimulates an additional quantum of energy from an atom into the same electromagnetic mode as the impinging photon. Hence, the two outgoing photons are identical. In…
The uniform electron gas (UEG) is a cornerstone of density-functional theory (DFT) and the foundation of the local-density approximation (LDA), one of the most successful approximations in DFT. In this work, we extend the concept of UEG by…
Aims: To calculate transition rates from ground and excited states in neutral oxygen atoms due to electron collisions for non-LTE modelling of oxygen in late-type stellar atmospheres, thus enabling reliable interpretation of oxygen lines in…
Accurate modeling of warm and hot dense matter is challenging in part due to the multitude of excited states that must be considered. In thermal density functional theory, these excited states are averaged over to produce a single,…
We combine the recently developed many-body Green's function theory for electrons and nuclei with the exact factorization of the wave function. The existing Born-Oppenheimer Green's functions are shown to be special cases of our exact…
The accurate calculation of excited state properties of interacting electrons in the condensed phase is an immense challenge in computational physics. Here, we use state-of-the-art equation-of-motion coupled-cluster theory with single and…