Search for dissertations about: "Double Harmonic Approximation"

Found 3 swedish dissertations containing the words Double Harmonic Approximation.

  1. 1. Calculated Potential Energy Surfaces and Vibrational Analysis

    University dissertation from Department of Theoretical Chemistry, Lund University

    Author : Niclas Forsberg; [2001]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Benzene; HCO; NEMO; Imaginary Level Shift; Double Harmonic Approximation; Potential Energy Surface; CASPT2; Franck-Condon Factors; CASSCF; p-Benzosemiquinone; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi;

    Abstract : The focus of this thesis is on the calculation of potential energy surfaces and on the study of vibrational properties. For example: - We have developed a new method for calculation of Franck-Condon factors. - We have calculated full energy surfaces of the ground (X2A’) the excited (B2A’) states of the formyl radical. READ MORE

  2. 2. Molecular Quadratic Response Properties with Inclusion of Relativity

    University dissertation from Institutionen för fysik, kemi och biologi

    Author : Johan Henriksson; Patrick Norman; Juha Vaara; [2008]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; relativistic quantum chemistry; molecular physics; clamping levels; four-component Hartree-Fock theory; Kohn-Sham density functional theory; response theory; nonlinear optics; second-harmonic generation; two-photon absorption; excited state properties; optical power limiting; NATURAL SCIENCES Physics Other physics Computational physics; NATURVETENSKAP Fysik Övrig fysik Beräkningsfysik;

    Abstract : This thesis concerns quadratic response properties and their application to properties in Jablonski diagrams such as resonant two-photon absorption and excited state absorption. Our main interest lies in optical power limiting applications, and in this context, molecules containing heavy metal atoms prove superior. READ MORE

  3. 3. Aspects of Wave Interaction in Nonlinear Media

    University dissertation from Institutionen för fysik, kemi och biologi

    Author : Björn Hall; [2005]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; nonlinear Schrödinger equation; incoherent solitons; partial incoherence; nonlinear wave interaction; Gross-Pitaevskii equation; modulational instability; collective dynamics; Wigner transform; nonlinear guided waves; Bose-Einstein condensation;

    Abstract : Selected aspects of various types of nonlinear wave interaction are investigated. These aspects are studied in terms of models described by Nonlinear Schrödinger equations, mainly analytically and numerically, but also experimentally. READ MORE