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Found 2 swedish dissertations matching the above criteria.

2. 1. Absorbing boundary techniques for the time-dependent Schrödinger equation

   Author : Anna Nissen; Gunilla Kreiss; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Beräkningsvetenskap med inriktning mot numerisk analys; Scientific Computing with specialization in Numerical Analysis;

   Abstract : Chemical dissociation processes are important in quantum dynamics. Such processes can be investigated theoretically and numerically through the time-dependent Schrödinger equation, which gives a quantum mechanical description of molecular dynamics.This thesis discusses the numerical simulation of chemical reactions involving dissociation. READ MORE

4. 2. High Order Finite Difference Methods with Artificial Boundary Treatment in Quantum Dynamics

   Author : Anna Nissen; Gunilla Kreiss; Sverker Holmgren; Magnus Svärd; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Schrödinger equation; finite difference methods; perfectly matched layer; summation-by-parts operators; adaptive discretization; stability; Beräkningsvetenskap med inriktning mot numerisk analys; Scientific Computing with specialization in Numerical Analysis;

   Abstract : The investigation of the dynamics of chemical reactions, both from the theoretical and experimental side, has drawn an increasing interest since Ahmed H. Zewail was awarded the 1999 Nobel Prize in Chemistry for his work on femtochemistry. READ MORE