Molecular Orbital of Coupled Systems
作者：
DOI: 10.1002/9783527690541.CH8
关键词: Chemical physics 、 Anderson impurity model 、 Jahn–Teller effect 、 Ab initio 、 Condensed matter physics 、 Molecular orbital 、 Chemistry
摘要:
sci-hub.se 参考文章(27)
P. De Loth, P. Cassoux, J. P. Daudey, J. P. Malrieu, Ab initio direct calculation of the singlet-triplet separation in cupric acetate hydrate dimer Journal of the American Chemical Society. ,vol. 103, pp. 4007- 4016 ,(1981) , 10.1021/JA00404A007
J. N. van Niekerk, F. R. L. Schoening, A new type of copper complex as found in the crystal structure of cupric acetate, Cu2(CH3COO)4.2H2O Acta Crystallographica. ,vol. 6, pp. 227- 232 ,(1953) , 10.1107/S0365110X53000715
Jeppe Olsen, The CASSCF method: A perspective and commentary International Journal of Quantum Chemistry. ,vol. 111, pp. 3267- 3272 ,(2011) , 10.1002/QUA.23107
Sebastian Sinnecker, Frank Neese, Louis Noodleman, Wolfgang Lubitz, Calculating the Electron Paramagnetic Resonance Parameters of Exchange Coupled Transition Metal Complexes Using Broken Symmetry Density Functional Theory: Application to a MnIII/MnIV Model Compound Journal of the American Chemical Society. ,vol. 126, pp. 2613- 2622 ,(2004) , 10.1021/JA0390202
Andrei V. Palii, Boris S. Tsukerblat, Juan M. Clemente-Juan, Eugenio Coronado, Isotropic magnetic exchange between anisotropic Yb(III) ions. Study of Cs3Yb2Cl9 and Cs3Yb2Br9 crystals. Inorganic Chemistry. ,vol. 44, pp. 3984- 3992 ,(2005) , 10.1021/IC0482382
Andrei Palii, Boris Tsukerblat, Sophia Klokishner, Kim R. Dunbar, Juan M. Clemente-Juan, Eugenio Coronado, Beyond the spin model: exchange coupling in molecular magnets with unquenched orbital angular momenta Chemical Society Reviews. ,vol. 40, pp. 3130- 3156 ,(2011) , 10.1039/C0CS00175A
Magnetic properties of some paramagnetic crystals at low temperatures Proceedings of The Royal Society A: Mathematical, Physical and Engineering Sciences. ,vol. 206, pp. 353- 373 ,(1951) , 10.1098/RSPA.1951.0075
J. J. Novoa, M. Deumal, J. Jornet-Somoza, Calculation of microscopic exchange interactions and modelling of macroscopic magnetic properties in molecule-based magnets. Chemical Society Reviews. ,vol. 40, pp. 3182- 3212 ,(2011) , 10.1039/C0CS00112K
Louis Noodleman, Joe G. Norman, The Xα valence bond theory of weak electronic coupling. Application to the low‐lying states of Mo2Cl84− Journal of Chemical Physics. ,vol. 70, pp. 4903- 4906 ,(1979) , 10.1063/1.437369
Hans U. Guedel, Albert Furrer, Herma Blank, Exchange interactions in rare-earth-metal dimers. Neutron spectroscopy of cesium ytterbium halides, Cs3Yb2Cl9 and Cs3Yb2Br9 Inorganic Chemistry. ,vol. 29, pp. 4081- 4084 ,(1990) , 10.1021/IC00345A034