Search for dissertations about: "CONFIGURATION-INTERACTION"
Showing result 1 - 5 of 14 swedish dissertations containing the word CONFIGURATION-INTERACTION.
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1. Quantum Few-Body Physics with the Configuration Interaction Approach: Method Development and Application to Physical Systems
Abstract : This dissertation, based on six included papers, theoretically investigates properties of quantum few-particle systems. An overview of related experimental research - ultra-cold trapped dilute gases, and electrons in quantum dots - is given, followed by a description of some of the studied many-particle phenomena - Bose-Einstein condensation, quantized vortices, Wigner localization and the Tonks-Girardeau gas. READ MORE
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2. Three-nucleon forces in nuclear physics simulations
Abstract : The aim of this licentiate thesis is to evaluate the normal-ordered two-body (NO2B)-approximation as a computationally promising way to incorporate realistic three-nucleon forces (3NFs) in nuclear many-body simulations using the no-core-shell-model. The existence and importance of 3NFs is predicted in chiral effective field theories of the strong-nuclear force. READ MORE
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3. Finite perturbation : configuration interaction calculations of nuclear magnetic resonance spin-spin coupling constants
Abstract : .... READ MORE
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4. Experimental and theoretical studies of some transition metal halides
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
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5. Potential surfaces for chemical reactions investigated by accurate quantum chemical methods
Abstract : The main object of the thesis is the investigation of mechanisms for some inorganic and metallo-organic reactions by means of accurate multiconfigurational SCF and configuration interaction calculations. Stepwise dissociation of diimide into N2+H2 is found to be slightly preferred before a concerted mechanism. READ MORE