Self-consistent fields without exchange for Pr3+ and Tm3+

ABSTRACTSelf-consistent fields without exchange have been calculated for the ground state of Pr3+ and Tm3+. The spin-orbit coupling constant ζ(4f) is found to have the values 785 and 2742 cm−1 in Pr3+ and Tm3+, respectively. The corresponding values of are 29·4 and 77·5 Å−3. Values of the Slater integrals F2(4f, 4f), F4(4f, 4f) and F6(4f, 4f) are also given for each structure.

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Electronic Spectrum of the N80Se Molecule in the Region 2840–3200 Å

Canadian Journal of Physics ◽

10.1139/p71-247 ◽

1971 ◽

Vol 49 (15) ◽

pp. 2033-2051 ◽

Cited By ~ 9

Author(s):

L. Harding ◽

W. E. Jones ◽

K. K. Yee ◽

A. Jenouvrier ◽

D. Daumont ◽

...

Keyword(s):

Electronic Spectrum ◽

Ground State ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Rotational Analysis ◽

Coupling Constant ◽

Molecular Constants ◽

First Time

The vibrational and rotational analysis of 12 red degraded bands of N80Se, in the region 2800 to 3200 Å, is reported. These bands are attributed to two progressions, ν′ = 1 and ν′ = 2, of the subsystem C2Δ5/2–X2Π3/2 and to two progressions, ν′ = 0, of the system B2Σ–X2Π(a).Tables of molecular constants of the observed states are given. For the first time it has been possible to calculate the spin–orbit coupling constant, Aeff, of the ground state, X2Π(a).

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The Vacuum Ultraviolet Spectrum of Selenium Hydride I. Determination of the Ground State Spin-Orbit Coupling Constant

Physica Scripta ◽

10.1088/0031-8949/17/6/004 ◽

1978 ◽

Vol 17 (6) ◽

pp. 561-564 ◽

Cited By ~ 12

Author(s):

P Bollmark ◽

B Lindgren ◽

B Rydh ◽

U Sassenberg

Keyword(s):

Ground State ◽

Vacuum Ultraviolet ◽

Ultraviolet Spectrum ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Coupling Constant ◽

Ground State Spin ◽

State Spin

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Ground configuration splitting in UCl5

Canadian Journal of Physics ◽

10.1139/p77-125 ◽

1977 ◽

Vol 55 (10) ◽

pp. 937-942 ◽

Cited By ~ 12

Author(s):

A. F. Leung ◽

Ying-Ming Poon

Keyword(s):

Crystal Field ◽

Energy Levels ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Coupling Constant ◽

Point Charge Model ◽

X Ray Crystallography ◽

Charge Model ◽

Crystal Field Parameters

The absorption spectra of UCl5 single crystal were observed in the region between 0.6 and 2.4 μm at room, 77, and 4.2 K temperatures. Five pure electronic transitions were assigned at 11 665, 9772, 8950, 6643, and 4300 cm−1. The energy levels associated with these transitions were identified as the splittings of the 5f1 ground configuration under the influence of the spin–orbit coupling and a crystal field of C2v symmetry. The number of crystal field parameters was reduced by assuming the point-charge model where the positions of the ions were determined by X-ray crystallography. Then, the crystal field parameters and the spin–orbit coupling constant were calculated to be [Formula: see text],[Formula: see text], [Formula: see text], and ξ = 1760 cm−1. The vibronic analysis showed that the 90, 200, and 320 cm−1 modes were similar to the T2u(v6), T1u(v4), and T1u(v3) of an UCl6− octahedron, respectively.

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Magnetic Susceptibilities of 2T2 Ions. Part 1

Canadian Journal of Chemistry ◽

10.1139/v72-233 ◽

1972 ◽

Vol 50 (10) ◽

pp. 1468-1471 ◽

Cited By ~ 1

Author(s):

Alan D. Westland

Keyword(s):

Magnetic Susceptibility ◽

Excited State ◽

Reduction Factor ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Coupling Constant ◽

Magnetic Susceptibilities

An expression for the magnetic susceptibility of octahedral d1 complexes is derived exactly in terms of an orbital reduction factor k taking into account the presence of the formal 2E excited state. Sample calculations show that the improved expression gives results for susceptibility which are lower at times by several percent from those given by previous expressions. The results given by Figgis using Kotani's method are adequately precise when the spin–orbit coupling constant is no larger than ~0.1 Dq.

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