This rising-edge transition can be fitted to a valence bond configuration ( VBCI ) model to obtain the composition of the ground state wavefunction and information on ground state covalency.
12.
In As 4 S 10, arsenic has a formal oxidation state of + 2 in As 4 S 4 which features As-As bonds so that the total covalency of As is still 3.
13.
In the crystal ( CsF has the NaCl structure with both ions being 6-coordinate ) if each bond has 9 % covalent character the total covalency of Cs and F would be 54 %.
14.
He generated some of the earliest ideas about effects such as transferred and, especially, supertransfered hyperfine fields and developed the theory to describe these in terms of the covalency of the Fe-O bonds.
15.
Where \ psi ^ * is the wavefunction of the unfilled orbital, "'r "'is the transition dipole operator, and \ alpha ^ 2 is the " covalency " or ligand character in the orbital.
16.
In connection with other electronic and structural descriptors, such as the covalency metric or the distortion mode analysis from group theory, the A-B pair cophonicity is a guide to properly select either A or B atomic species to tune specific vibrational frequencies of a given system.
17.
We define the quantity C _ { ph } \ text { ( A-B ) } as the " cophonicity of the A-B atomic pair ", in analogy with the A-B bond covalency definition formulated in terms of atomic contributions to the electronic density of states.
