Rydberg results

Note that we are interested in nj, the atomic quantum number of the level to which the electron jumps in a spectroscopic excitation. Use the results of this data treatment to obtain a value of the Rydberg constant R. Compare the value you obtain with an accepted value. Quote the source of the accepted value you use for comparison in your report. What are the units of R A conversion factor may be necessary to obtain unit consistency. Express your value for the ionization energy of H in units of hartrees (h), electron volts (eV), and kJ mol . We will need it later. 

When aos are eombined to form mos, eore, bonding, nonbonding, antibonding, and Rydberg moleeular orbitals ean result. The mos (j) are usually expressed in terms of the eonstituent atomie orbitals Xa iii the linear-eombination-of-atomie-orbital-moleeular-orbital (LCAO-MO) manner ... 

Diffuse functions are those functions with small Gaussian exponents, thus describing the wave function far from the nucleus. It is common to add additional diffuse functions to a basis. The most frequent reason for doing this is to describe orbitals with a large spatial extent, such as the HOMO of an anion or Rydberg orbitals. Adding diffuse functions can also result in a greater tendency to develop basis set superposition error (BSSE), as described later in this chapter. 

The isomer lowest in energy is predicted to be the 2,5-dihydro-1,2,4-triazine 198g. The most stable structures always show two C=N double bonds. Moreover, in polar solvents, 198h should also be a dominant species [00PCCP2187]. The valence and Rydberg excited states of 1,2,3-triazine have been studied by multireference methods (MRD-CI) and the results are compared with experimental spectra [98CP39]. 

These energy levels have exactly the form suggested spectroscopically, but now we also have an expression for S( in terms of more fundamental constants. When the fundamental constants are inserted into the expression for the value obtained is 3.29 X 10,s Hz, the same as the experimental value of the Rydberg constant. This agreement is a triumph for Schrodinger s theory and for quantum mechanics it is easy to understand the thrill that Schrodinger must have felt when he arrived at this result. A very similar expression applies to other one-electron ions, such as He1 and even C5+, with atomic number Z ... 

Since the experimental work on H3 recombination provided much of the impetus for this work, we will compare two recent experiments, a merged-beam and a plasma afterglow experiment. We conclude that the results can be reconciled by postulating the formation of long-lived Rydberg states and that these are quite sensitive to the environment in which the recombination occurs. In beam experiments (Section TV. B ) the observed cross sections are shown to be sensitive to the presence of electric fields. In the afterglow experiments, the concentration of third... 

The results for the A state show that a different mechanism is operative. A series of femtosecond pump-probe experiments were performed at wavelengths corresponding to the Rydberg states A (v = 0,1,2) of ammonia molecules.64-66,68,69 The wavelengths used to access these vibrational levels were 214 nm, 211 nm, and 208 nm for the pump laser and 321 nm, 316.5 nm, and 312 nm for the probe laser, respectively. 

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