The expressions foavibrational overlap integrals of the one-dimensional harmonic wavefunctions (centenxi about different equilibrium positions and having different frequencies) have been derived in a simple and straightforward way.

The ultraviolet photoelectron spectrum of F2O was recorded with a higher resolution than previously published. New vibrational structure was observed in the second and third bands. Near state-of-the-art molecular orbital calculations were performed on the X̃ A1 state of F2O and the X̃ B1 , B2 , A1 , and A2 state of F2O , and their potential energy functions were computed. Spectral simulations bas...

We present results from two-photon photoassociative spectroscopy of the least-bound vibrational level of the X 1 g + state of the Sr2 dimer. Measurement of the binding energy allows us to determine the s-wave scattering length a88=−1.4 6 a0. For the intermediate state, we use a bound level on the metastable S0P1 potential, which provides large Franck-Condon transition factors and narrow one-pho...

The vibronic profiles of one-photon absorption spectra of dioxaborine heterocycles in gas phase and solution have been calculated at the Hartree-Fock and density-functional-theory levels. The polarizable continuum model has been applied to simulate the solvent effect, while the linear coupling model is used to compute the Franck-Condon and Herzberg-Teller contributions. It is found that a good ...

Resonance Raman excitation profiles have been measured for the bovine visual pigment rhodopsin using excitation wavelengths ranging from 457.9 to 647.1 nm. A complete Franck-Condon analysis of the absorption spectrum and resonance Raman excitation profiles has been performed using an excited-state, time-dependent wavepacket propagation technique. This has enabled us to determine the change in g...