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1. Quantum Dynamics Simulations Using the Standard Matching Pursuit Gaussian Wavepacket Method : Practical Considerations
Master-uppsats, Uppsala universitet/Teoretisk kemiSammanfattning : In any quantum dynamics method that approximates wave functions as a linearly combined basis set, non-orthogonality can be is a problem. It has been proven in previous studies that, by using the most standard form of Matching Pursuit in combination with a Gaussian wave packet ansatz, exact quantum-mechanical correspondence can be obtained for particle tunneling in one and two dimensions. LÄS MER
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