000 | 03332nam a22004935i 4500 | ||
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001 | 978-3-540-32501-7 | ||
003 | DE-He213 | ||
005 | 20161121231105.0 | ||
007 | cr nn 008mamaa | ||
008 | 100806s2006 gw | s |||| 0|eng d | ||
020 |
_a9783540325017 _9978-3-540-32501-7 |
||
024 | 7 |
_a10.1007/b136753 _2doi |
|
050 | 4 | _aQD146-197 | |
072 | 7 |
_aPNK _2bicssc |
|
072 | 7 |
_aSCI013030 _2bisacsh |
|
082 | 0 | 4 |
_a546 _223 |
245 | 1 | 0 |
_aMagnetic Functions Beyond the Spin-Hamiltonian _h[electronic resource] / _cedited by D. M. P. Mingos. |
264 | 1 |
_aBerlin, Heidelberg : _bSpringer Berlin Heidelberg, _c2006. |
|
300 |
_aX, 278 p. _bonline resource. |
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336 |
_atext _btxt _2rdacontent |
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337 |
_acomputer _bc _2rdamedia |
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338 |
_aonline resource _bcr _2rdacarrier |
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347 |
_atext file _bPDF _2rda |
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490 | 1 |
_aStructure and Bonding, _x0081-5993 ; _v117 |
|
505 | 0 | _aR. Boca: Magnetic Parameters and Magnetic Functions in Mononuclear Complexes Beyond the Spin-Hamiltonian Formalism: Introduction -- Energy Levels of Multi-Term Systems -- Modeling the Magnetic Parameters -- Calculations of Energy Levels and Magnetic Parameters -- Empirical Magnetic Parameters -- Conclusions -- References -- Appendix A: Spectroscopic Constants, Coefficients and Matrix Elements -- Appendix B: Elements of the Irreducible Tensor Approach -- Appendix C: Classification of Crystal-Field Terms and Multiplets -- Appendix D: Calculated Energy Levels and Magnetic Parameters. | |
520 | _aUsing the spin-Hamiltonian formalism the magnetic parameters are introduced through the components of the Lambda-tensor involving only the matrix elements of the angular momentum operator. The energy levels for a variety of spins are generated and the modeling of the magnetization, the magnetic susceptibility and the heat capacity is done. Theoretical formulae necessary in performing the energy level calculations for a multi-term system are prepared with the help of the irreducible tensor operator approach. The goal of the programming lies in the fact that the entire relevant matrix elements (electron repulsion, crystal field, spin-orbit interaction, orbital-Zeeman, and spin-Zeeman operators) are evaluated in the basis set of free-atom terms. The modeling of the zero-field splitting is done at three levels of sophistication. The spin-Hamiltonian formalism offers simple formulae for the magnetic parameters by evaluating the matrix elements of the angular momentum operator in the basis set of the crystal-field terms. The magnetic functions for dn complexes are modeled for a wide range of the crystal-field strengths. | ||
650 | 0 | _aChemistry. | |
650 | 0 | _aInorganic chemistry. | |
650 | 0 | _aChemistry, Physical and theoretical. | |
650 | 0 | _aMagnetism. | |
650 | 0 | _aMagnetic materials. | |
650 | 1 | 4 | _aChemistry. |
650 | 2 | 4 | _aInorganic Chemistry. |
650 | 2 | 4 | _aTheoretical and Computational Chemistry. |
650 | 2 | 4 | _aMagnetism, Magnetic Materials. |
700 | 1 |
_aMingos, D. M. P. _eeditor. |
|
710 | 2 | _aSpringerLink (Online service) | |
773 | 0 | _tSpringer eBooks | |
776 | 0 | 8 |
_iPrinted edition: _z9783540260790 |
830 | 0 |
_aStructure and Bonding, _x0081-5993 ; _v117 |
|
856 | 4 | 0 | _uhttp://dx.doi.org/10.1007/b136753 |
912 | _aZDB-2-CMS | ||
950 | _aChemistry and Materials Science (Springer-11644) | ||
999 |
_c508413 _d508413 |