Calculation of the frequencies of the lines in a threefold degenerate fundamental band of a spherical top molecule

Generalized Spin Bases for Quantum Chemistry and Quantum Information

“…The use of bases consisting of such functions allows to simplify the calculation of matrix elements of operators and to factorize the secular equation. Symmetry adaptation generally requires two type of groups: the symmetry group for the hamiltonian (often a finite group when dealing with molecules) and a chain of classification groups for the operators and state vectors (often continuous groups like unitary groups 2,3,4 and finite groups 5,6,7,8,9 ). The interest of symmetry adapted bases (atomic orbitals, molecular orbitals, spin waves, etc.)…”

Measurement and Analysis of the Fourier Transform Spectra of the ν3Fundamental and ν1+ ν3Combination of NpF6

“…[2] specify positions of the centers of gravity of the fine structure manifolds in terms of any particular J state M. For the R branch, M Å JЉ / 1, and for the P branch, M Å 0JЉ. The tensor terms describe the manifold structure itself.…”

“…Cooling technology In UF 6 , these characteristics enabled exact analysis of the used to combat this hot band population in work done on spectrum in terms of the theory of Moret-Bailly (2,3). In UF 6 and PuF 6 used either nozzle expansion (4) or a static the UF 6 n 3 band (4), all transitions from the vibrational low temperature sample (5,6,11,12) with a long path length ground state with J values up to P(77), Q(91), and R(67) compensating for low vapor pressure, as was used in these were assigned and seven spectroscopic parameters were de-experiments on NpF 6 .…”

“…ture components have been derived using a standard expres-The values determined for the manifold centers are fitted to sion (2,3), these clusters in NpF 6 do not adhere to the known the scalar portion of Eq. [2] to determine the scalar values. patterns observed in those of the closed shell molecules (8, These assignments are supported by the expected agreement 9).…”

Representation Theory and Wigner-Racah Algebra of the SU(2) Group in a Noncanonical Basis

“…[9]) and the strongly symmetry-adapted bases for which the basis vectors are eigenvectors of J 2 and of an operator defined in the enveloping algebra of SU (2) and invariant under the group G (e.g., see Ref. [10]). We shall see that the basis for SU(2) described in the present paper interpolates between the group-subgroup type and the nongroupsubgroup type.…”