文摘
英文文摘
Introduction
1. Molecules in electric and magnetic fields and antisymmetric matter tensors
2. Applications of antisymmetric matter tensor in molecular properties
3. Quantum-mechanical description of the polarizability and hyperpolarizability
4. Motivation, contents and structures of this thesis
References
Chapter Ⅰ Antisymmetric polarizabilities of rotational sublevels for linear and symmetric top molecules and laser-induced shifts of resonance Rayleigh scattering and microwave spectra
Abstract
1. Introduction
2. Coupling of angular momentum vectors
2.1 Definition of angular momentum
2.2 Basis of the representation
2.3 Time reversal and the angular momentum operators
2.4 The addition of angular momenta
2.5 The vector-coupling coefficients
2.6 Wigner 3-j symbol
3. Antisymmetric polarizabilities of rotational sublevels for linear molecules induced by a resonant optical Field and laser-induced shifts of Rayleigh scatterig
3.1 M-dependent polarizabilities for a given rotational sublevel ｜JM 〉
3.2 Antisymmetric polarizabilities for a rotational sublevel ｜JM〉
3.3 M-dependent splittings and shifts of energy levels and spectral linesinduced by circularly polarized optical field
3.4 Calculations
3.5 Conclusions
4. Antisymmetric polarizabilities of rotational sublevels for symmetric top molecules and laser-induced MWshifts
4.1 Polarizabilities for a given rotational sublevel ｜JKM〉
4.2 Laser-induced MW (microwave) shifts NH3 molecule
4.3 Conclusion
5. Conclusion Remarks
Appendix: The polarizabilities of a linear molecule in non-resonance field
References
Chapter Ⅱ Circular dichroism effect for linear molecules induced by a resonant circularly polarized pumping optical field
Abstract
1. Introduction
2. Magnetic optical activity
3. Laser-induced circular dichroism (LICD)
3.1 Antisymmetric polarizability of the rotational sublevels for a linear molecule induced by a resonant circularly polarized light
3.2 M-dependent shifts, splittings and repopulation of rotational sublevels induced by the resonant circularly polarized pumping optical field v1
3.3 LICD effect
4 Calculation for CO molecules
4.1 Rotationally esolved LICD line f X 1∑+(v = 0, J = 1) → X 1∑+ (v = 1, J'= J ± 1)
4.2 Rotationally resolved LICD spectra of X1∑+(v=0, J=1-14) → X1∑+(v=1,J'=J±1)
4.3 Comparison between LICD and MVCD of CO molecules
5 Discussion
6 Conclusion
References
Chapter Ⅲ Analytic doubly resonant IR-UV sum-frequency vibrational spectroscopy of Binaphthol from electronic wave functions
Abstract
1. Introduction
2. Ab initio, density-functional, semiempirical treatments of molecules
2.1 Hartree-Fock method for molecules
2.2 Molecular vibrational frequencies
2.3 Density-functional theory
2.4 Semiempirical treatments of molecules
3. Doubly resonant IR-UV sum-frequency vibrational spectroscopy onmolecular chirality
4. Theory
5. Results and discussion
6. Conclusion
References
Chapter Ⅴ Laser-induced shifts and splittings of hyperfine structure lines in electron spin resonance spectra of 35Cl atoms
Abstract
1. Introduction
2. Zeeman effect ofhyperfine structure and the ESR experiment
2.1 Hyperfine structure
2.2 Zeeman effect of hyperfine structure
2.3 the ESR experiment
3. Laser-induced shifts and broadening of fine energy levels for 35 Cl Atom
4. Laser-induced shifts and splittings of hyperfine structure lines in electron spin resonance spectra of 35 Cl atoms
4.1 Dressed-atom theory
4.2 Light shifts and splittings of ESR hfs line of a chlorine atom
4.3 Result and discussion
5. Conclusions
References
Publications related to the thesis
Acknowledgements
