We present a new method for the computation of electronic excited states of molecular systems. This method is based upon a recent theoretical definition of multiconfiguration excited states (due to one of us, see M. Lewin, Solutions of the Multiconfiguration Equations in Quantum Chemistry, Arch. Rat. Mech. Anal. 171 (2004) 83-114). Our algorithm, dedicated to the computation of the first excite...

The variations in band shape with excited state energy found for the triplet metal to ligand charge transfer ((3)MLCT) emission spectra of ruthenium-bipyridine (Ru-bpy) chromophores at 77 K have been postulated to arise from excited state/excited state configurational mixing. This issue is more critically examined through the determination of the excited state energy dependence of the radiative...

In this article we will discuss how a strictly local operation can effect a physical system in thermal equilibrium. Let O denote an open and bounded space-time region in Minkowski space IR where a local operation a takes place. The first guess might be that the operation a gives rise to an excitation of the equilibrium state which is localized in O; i.e., with respect to measurements in the cau...

In this review, we demonstrate a real-time time-frequency two-dimensional (2D) pump-probe imaging spectroscopy implemented on a single shot basis applicable to excited-state dynamics in solid-state organic and biological materials. Using this technique, we could successfully map ultrafast time-frequency 2D transient absorption signals of β-carotene in solid films with wide temporal and spectral...

Deterministic identifiability analyses via similarity transformation are presented for two kinetic models of a reversible intermolecular two-state excited-state process in isotropic environments: (a) with coupled species-dependent rotational diffusion described by Brownian reorientation, and (b) with added quencher. For (a), both spherically and cylindrically symmetric rotors, with no change in...

A method is introduced to optimize excited state trial wavefunctions. The method is applied to ground and vibrationally excited states of bosonic van der Waals clusters of upto seven particles. Employing optimized trial wave functions with three-body correlations, we use correlation function Monte Carlo to estimate the corresponding excited state energies.

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Objectives: Given recent concerns regarding its validity the aim of the present study was to examine the capability of the Competitive State Anxiety Inventory-2(d) (CSAI-2(d)) in distinguishing between anxious and excited states. Design and Methods: British university athletes (n 188) were randomly assigned to one of two groups and asked to complete the CSAI-2(d) as if they were either excited ...