Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster

- Vibrational relaxation of the 5 950 cm-' vibrational level of coumarlne 6 vapour probed by a visible pulse (from Ref. It may be equally applied in order to excite

We have to accept that no excited state of a system containing several nuclei is ensured against adjacent quasi-continuum states of the same symmetry type,even at lower energy-This

However, the MRSDCI/DZP oscillator strengths and radiative lifetimes differ significantly from both the MRCI and EOM-CCSDT data (see Table 2), probably due to the

interaction and its variation with strain which contri- bute to all the five parameters A, ..., 9 ; (ii) cross terms involving direct effect of T2g strains on the

Besides electron tunneling another possible decay path involves field coupling of the adsorbate excitations with the substrate e-h pair excitations.. Excitations of

We present the term level diagams of the doubly excited quartet systems of the L i I isoelectronic sequence up to NeVIII.. beam

The presented approach can be used to reconstruct the energetics in the excited states of light-switchable polymers, combining advanced sampling methods with free-energy

Kelly [I21 and in tlle excellent recent works of Das and Amusla. The three approaches and earlier work are discussed In a recent book by Slnanoglu and Brucckner