What is the ground state electron configuration for Ti^{2+}? What is the electron configuration of the element with 27 protons? Which of the following ions have the same ground state electron configuration: Sn4+, P...
state electronic configuration inside the ion that is absorbed. As soon as the resonance conditions are met, the absorption of a single photon occurs, and the ground state electron is promoted to the first metastable excited state. This transition is known as ground state absorption (GSA). ...
Molecular orbital calculations, using both multiple scattering Xα and extended Hückel models, are reported for Ru(diimine) 2+ 3. Results obtained by both methods are in good agreement. Using an original MO description of the excited states of ligand-field and charge-transfer type based on MS...
For an in-depth study of the iCT process in the excited state, the transient IR spectra ofTMTQwere measured in toluene, CH2Cl2, and CH3NO2, where we focused on the region of 2140–2240 cm−1to monitor the change of the C≡N stretching mode (Fig.2f). The transient IR spectra in...
The experimental results provide a best fit using δE = 1,300 cm−1, yet no specific physical assignment is provided for that particular energy value. Albers et al.9 described the non-radiative process as initiated by tunneling from the upper multiplet electronic state configuration ...
The fits show a significant improvement when adding the Pcs0 state. The largest improvement on -2lnL when adding a single Pcs0 contribution is found to be Δ2lnL=43, for an addition of 6 parameters. This fit, which includes the ΛK- resonances in Table 1, a NR ΛK- component and a...
(MCSCF) CI based method with optimization of the orbitals at the same – CI based method with optimization of the orbitals at the same time – smaller configuration space f l f d ff l – useful for difficult cases • HF fails to describe the ground state (strong geometrical distortions,...
The symmetry-adapted-cluster (SAC) and SAC-configuration interaction (SAC-CI) many-body theories have been applied to calculate, within the all-electron ab initio Hamiltonian, the singlet ground and excited states of MoF6 and MoOF4. Chemical bonding and electron correlation are quite important to...
Configuration interaction wavefunctions are used to describe the initial Ti XII and final Ti XIV states. The positions and effective quantum numbers for the Rydberg series converging to the excited state 2s2p6 2Se of the residual ion, are predicted....
In 2He cluster emission, the two protons are strongly correlated and constitute a quasi-bound 1S0 configuration with a very short lifetime. Then, such a quasi-bound state becomes separated after penetrating the Coulomb barrier. For three-body emission, the nuclear core and the two protons ...