Search for dissertations about: "spin-orbit"

Showing result 21 - 25 of 90 swedish dissertations containing the word spin-orbit.

  2. 21. Photophysical Properties of Organic and Organometallic molecules

    Author : Oscar Rubio Pons; KTH; []
    Keywords : molecule; two-photon absorption; singlet-triplet. spin-orbit; CASSCF; emission; phosphorescence; DFT; B3LYP;

    Abstract : Highly correlated quantum chemical methods have been appliedto study the photophysical properties of substituted benzenes.With the inclusion of spin-orbit coupling, the phosphorescencesof these molecules have been calculated usingMulti-CongurationalSelf- Consistent Field (MCSCF) quadraticresponse theory. READ MORE

  4. 22. Radiative association of C(3 P) and N(4 S) atoms: From semi-classical theory to coupled-states quantum dynamics

    Author : Sergey V. Antipov; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : In the present work formation of the CN radical through radiative association is simulated using both semi-classical and quantum mechanical theories. The rate coefficient for temperatures from 40 K to 1900 K has been computed using the Breit-Wigner theory to account for the resonances. READ MORE

  5. 23. Experimental and theoretical studies of some transition metal halides

    Author : Raimo Koivisto; John Brown; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physics; fysik;

    Abstract : This thesis comprises both experimental and theoretical studies on transition metal (TM) containing molecules and then mainly on CrF and CrCl. Both the experimental and theoretical parts have been aimed at a depend understanding of the electronic structure. READ MORE

  6. 24. Birefringences and X-ray absorption from relativistic and nonrelativistic quantum chemical methods

    Author : Ulf Ekström; Linköpings universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP;

    Abstract : Application of quantum chemical methods for the prediction and interpretation of optical and X-ray experiments have been performed. X-ray absorption and X-ray photo-electron spectroscopy of pentacene in the gas phase has been studied using the static exchange approximation. READ MORE

  7. 25. Electronic structure and optical properties of PbY and SnY (Y=S, Se, and Te)

    Author : Nilton Souza Dantas; Clas Persson; Natalia Skorodumova; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Other materials science; Övrig teknisk materialvetenskap;

    Abstract : Lead chalcogenides and tin chalcogenides and their alloys are IV−VI family semiconductors with unique material properties compared with similar semiconductors. For instance, PbY (Y = S, Se, and Te) are narrow-gap semiconductors with anomalous negative pressure coefficient and positive temperature coefficient. READ MORE