Excitation energies for

In ethane because the C-C bond strength is less than C-H bond, this is why it requires less energy for excitation. 

MATRIX HARTREE-FOCK ENERGIES FOR EXCITED STATES... 

In two recent publications we have tried to characterize the excited state properties of 1 and 3 in order to facilitate their detection by LIF-spectroscopy. Our main tool in this effort has been equation of motion coupled cluster theory (EOM-CC). The EOM-CCSD method, which is equivalent to linear response CCSD, has been shown to provide an accurate description of both valence and excited states even in systems where electron correlation effects play an important role [39]. Computed transition energies for excitations that are of mainly single substitution character are generally accurate to within 0.1 eV. We have found the EOM-CCSD method to perform particularly well in combination with the doubly-augmented cc-pVDZ (d-aug-cc-pVDZ) basis set. This basis seems to provide equally balanced descriptions of ground and excited states,... 

In compounds containing both homoannular and heteroannular double bonds, the diene system which requires least energy for excitation (i.e. the one with the longer wavelength of absorption) is used as a base. 

Shortly thereafter, Bouteiller continued on this same line of reasoning and considered combination bands and intensities. The data in Table 3.69 represent transitions of some combination of the v(FH) and v(P-N) bands, as indicated. At both the SCF or MP2 levels, inclusion of BSSE corrections reduce the transition energies for excitation of the v(F N) mode from the ground state ]00> 0n>, as may be seen from the first four rows of Table... 

The Franck-Hertz experiment and atomic energy levels Electrons can excite atoms from one quantum state to another by energy transferred during collisions. The threshold energy for excitation exactly matches the emission of light as the atom drops back down to the lower state, thus confirming the existence of quantized states and showing that they may be excited by either mechanical impact of electrons or absorption of photons. 

In atomic emission spectroscopy, the radiation source is the sample itself. The energy for excitation of analyte atoms is supplied by a plasma, a flame, an oven, or an electric arc or spark. The signal is the measured intensity of the source at the wavelength of interest. In atomic absorption spectroscopy, the radiation source is usually a line source such as a hollow cathode lamp, and the signal is the absorbance. The latter is calculated from the radiant power of the source and the resulting power after the radiation has passed through the atomized sample. 

The MCSCF optimization process consists of finding the optimal set of orbital and CSF rotation parameters that minimize the energy. For excited... 

The spectra of the energy region around 20 eV binding energy for excitation energies between 100 and 140 eV are shown in Fig. 3.27a for CePd2Si2. Obviously the emission of Ce 5pia and p a is drastically increased at about 120 eV. This behavior is directly correlated with the onset of the resonant enhancement of the 4d 4/transition in the Ce compound. This process is described by 4 / 4/ + hv 4d 4/ with subsequent 4d 4/ 4d 4/ 5p + e [50]. 

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