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We introduce an approach to investigate thermal effects on the photoelectron spectra of small clusters. By combining first-principles molecular dynamics and a simplified scheme to account for final-state relaxation effects, we obtain averaged excitation sp ...
Rydberg-Rydberg transitions are induced by absorption from the lowest Rydberg state of NO A 2S+ (3ss) in Ar matrixes, which is excited by an ArF laser at 193.3 nm. The depopulation of the A(v = 0) level to higher Rydberg states is probed by depletion of it ...
Lifetime studies of the NO A2S+ (v = 0) Rydberg fluorescence in rare gas matrixes are reported. The fluorescence stems from two types of sites, red and main. The red site fluorescence shows a lifetime lengthening of 25% in Kr matrixes and 100% in Xe matrix ...
The bubble build-up following Rydberg state excitation in rare gas matrixes was modeled on a system comprising NO mols. trapped in Ar matrixes. The bubble formation was probed in real time using the time-resolved fluorescence depletion technique. The NO mo ...
Quantum many-body states of up to four excitons are studied in small parallelepipedal quantum dots with only two nondegenerate electronic levels in the conduction and in the valence bands. Only one type of hole is considered. We find the set of good quantu ...
The absorption spectra of HCl in rare gas matrixes were recorded in the 1st continuum (A 1P->X 1S+) region in Kr and Xe matrixes and up to 100 nm in Ar matrixes. Concn. and temp. effects were used to distinguish between absorption from monomers and that fr ...
Highly structured fluorescence is reported for C60 mols. isolated in Ne and Ar matrixes. Their excitation spectra are similar to the gas-phase 2-photon ionization spectrum of C60. Most of the bands seen in emission can be attributed to Herzberg-Teller or J ...
The resonance Raman overtone progressions of I2 in liq. Xe and in CCl4 following excitation in the bound and continuum parts of the B state are discussed and compared with theor. simulations. The intensity distribution of the Raman overtones yields informa ...
Equilibrium geometries and electronic properties of neutral Cu-n (n = 2, 3, 4, 6, 8, 10) clusters are determined via first principles calculations which treat s and d electrons on an equal footing. Overall, we find ground state and local minimum structures ...
We have determined equilibrium geometries and electronic properties of neutral and anionic Cu-n (n = 2,9) clusters by means of first principles calculations in which s and d electrons are treated on equal footing. We find that the calculated electronic den ...