On the basis of the first paper’s theoretical derivations and concrete instance calculations of the energies of the d orbitals for a low spin ( S =1/2) nd 5(t 2 5, 2T 2)(n =3, 4, 5) system, the ma...On the basis of the first paper’s theoretical derivations and concrete instance calculations of the energies of the d orbitals for a low spin ( S =1/2) nd 5(t 2 5, 2T 2)(n =3, 4, 5) system, the major results reported in this paper contain the following two respects: explicit relationships between the coefficients of the real and complex Kramers doublets have been derived by using two types of the expressions of the principal components of the g tensors in real and complex orbital representations obtained in the first paper; the use of these relationships of the real and complex orbital coefficients has carried out a series of mathematical demonstrations on the agreement of the real and complex orbital methods .展开更多
A model of electronic intersupplemental states was presented for calculating the d orbital energies of a distorted octahedral low spin ( S =1/2) n d 5(t 5 2, 2T 2)(n=3, 4, 5) multielectron system...A model of electronic intersupplemental states was presented for calculating the d orbital energies of a distorted octahedral low spin ( S =1/2) n d 5(t 5 2, 2T 2)(n=3, 4, 5) multielectron system, and the 6 dimensional eigenmatrices of two new types in real and complex orbital representations were derived from this electron model forth. In comparison with real and complex orbital methods offered by the hole model, the real and complex orbital methods reported in this paper not only could give directly all the electronic structure parameters for the n d 5(t 5 2, 2T 2) multielectron system, but also showed many other new advantages such as standardization in theory, systematization in method, agreement in calculation and so on.展开更多
文摘On the basis of the first paper’s theoretical derivations and concrete instance calculations of the energies of the d orbitals for a low spin ( S =1/2) nd 5(t 2 5, 2T 2)(n =3, 4, 5) system, the major results reported in this paper contain the following two respects: explicit relationships between the coefficients of the real and complex Kramers doublets have been derived by using two types of the expressions of the principal components of the g tensors in real and complex orbital representations obtained in the first paper; the use of these relationships of the real and complex orbital coefficients has carried out a series of mathematical demonstrations on the agreement of the real and complex orbital methods .
文摘A model of electronic intersupplemental states was presented for calculating the d orbital energies of a distorted octahedral low spin ( S =1/2) n d 5(t 5 2, 2T 2)(n=3, 4, 5) multielectron system, and the 6 dimensional eigenmatrices of two new types in real and complex orbital representations were derived from this electron model forth. In comparison with real and complex orbital methods offered by the hole model, the real and complex orbital methods reported in this paper not only could give directly all the electronic structure parameters for the n d 5(t 5 2, 2T 2) multielectron system, but also showed many other new advantages such as standardization in theory, systematization in method, agreement in calculation and so on.
