Magnetic circular dichroism theory

Magnetic Circular Dichroism, Theory Nonlinear Optical Properties... [Pg.29]

See also Biochemical Applications of Raman Spectroscopy Biomacromolecular Applications of Circular Dichroism and ORD Carbohydrates Studied by NMR Circularly Polarized Luminescence and Fluorescence Detected Circular Dichroism Induced Circular Dichroism Magnetic Circular Dichroism, Theory Nucleic Acids and Nucleotides Studied Using Mass Spectrometry Organometallics Studied Using Mass Spectrometry Polymer Applications of IR and Raman Spectroscopy Proteins Studied Using NMR Spectroscopy Vibrational CD Spectrometers Vibrational CD, Theory. [Pg.1244]

CALCULATION OF MAGNETIC CIRCULAR DICHROISM SPECTRA WITH TIME-DEPENDENT DENSITY FUNCTIONAL THEORY... [Pg.41]

Piepho, S. B. Schatz, P. N. Group Theory in Spectroscopy With Applications to Magnetic Circular Dichroism Wiley New York, NY, 1983. Stephens, P. J. Annu. Rev. Phys. Chem. 1974, 25, 201. [Pg.104]

S. B. Piepho and P. N. Schatz, Group Theory in Spectroscopy with Applications to Magnetic Circular Dichroism, John Wiley Sons, Inc., New York, 1983. [Pg.126]

Piepho SB, Schatz PN (1983) Group theory in spectroscopy. With applications to magnetic circular dichroism. Wiley, New York... [Pg.89]

Calculation of Magnetic Circular Dichroism Spectra With Time-Dependent Density Functional Theory Michael Seth and Tom Ziegler... [Pg.448]

In the next section we summarize the theoretical background for coupled cluster response theory and discuss certain issues related to their actual implementation. In Sections 3 and 4 we describe the application of quadratic and cubic response in calculations of first and second hyperpolarizabilities. The use of response theory to calculate magneto-optical properties as e.g. the Faraday effect, magnetic circular dichroism, Buckingham effect, Cotton-Mouton effect or Jones birefringence is discussed in Section 5. Finally we give some conclusions and an outlook in Section 6. [Pg.54]

The most interesting case is photoemission of 4/ electrons in the rare earths as noted in the previous section, because of the collapsed nature of the 4/ orbitals, the photoemission spectrum can be interpreted completely even in the solid by atomic multiplet theory, and this applies also to magnetic circular dichroism. Thole and van der Laan [642] have derived sum rules for magnetic dichroism in rare-earth 4/ photoemission. They have shown that the integrated intensity is simply the sum over each sublevel of its occupation number times the total transition probability from that sublevel to the continuum shell. Polarisation effects in the 4/ photoemission spectra of rare earths are very large, and this tool based on quasiatomic analysis is of considerable significance it provides a new... [Pg.425]