It is seen that the increase of the magnetic field does not change the symmetry of the charge distribution in the
ground state, providing only the spatial confinement around the donor location without mixing of the
ground state with excited states.
For all the investigated reactions, DFT-B3LYP-Def2-TZVP and CASSCF-MRMP2 calculations were performed to obtain the energy profiles that join the
ground state of the reactants with the observed products in the IR-matrix spectra, mainly the oxide complex OM([[eta].sub.2]-SO) and the sulfide oxide SM[O.sub.2].
If curlA [equivalent to] 0 [equivalent to] curlB or A and B are both continuous at 0, then (2) has a nontrivial
ground state solution.
The QCD sum rules are modified by including the contribution of the first radial excited states in addition to the
ground state. Our predictions on the masses of the first radial excited states baryons are in good agreement with the experimental data.
The
ground state properties of CdO are studied from their total energies obtained from our calculation.
In this mechanism, unstacked or poorly stacked pairs of bases relax to the
ground state by an ultrafast internal conversion through the conical intersection (CI) between the lowest excited state and
ground state of the monomer.
The excited electron is only allowed by selection rules to return to the
ground state, if and only if, its spin is opposed to that of the
ground state electron.
They have found that all clusters (4 [less than or equal to] n [less than or equal to] 15) have the lowest spin state as their
ground state except [Al.sub.4] (triplet), [Al.sub.4.sup.+] (quartet), [Al.sub.7.sup.-] (triplet), and maybe [Al.sub.5.sup.+] (singlet and triplet are degenerate).
The "Orbitals" tab shows a complete orbital readout for each element's
ground state, quantum numbers, oxidation states, and diagram following Hund's rules.