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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

The Multiconfiguration Time Dependent Hartree-Fock Method for Cylindrical Systems

Nakib, Protik H. 05 November 2013 (has links)
Many-body quantum dynamics is a challenging problem that has induced the development of many different computational techniques. One powerful technique is the multiconfiguration time-dependent Hartree-Fock (MCTDHF) method. This method allows proper consideration of electronic correlation with much less computational overhead compared to other similar methods. In this work, we present our implementation of the MCTDHF method on a non-uniform cylindrical grid. With the one-body limit of our code, we studied the controversial topic of tunneling delay, and showed that our results agree with one recent experiment while disagreeing with another. Using the fully correlated version of the code, we demonstrated the ability of MCTDHF to address correlation by calculating the ground state ionization energies of a few strongly correlated systems.
2

The Multiconfiguration Time Dependent Hartree-Fock Method for Cylindrical Systems

Nakib, Protik H. January 2013 (has links)
Many-body quantum dynamics is a challenging problem that has induced the development of many different computational techniques. One powerful technique is the multiconfiguration time-dependent Hartree-Fock (MCTDHF) method. This method allows proper consideration of electronic correlation with much less computational overhead compared to other similar methods. In this work, we present our implementation of the MCTDHF method on a non-uniform cylindrical grid. With the one-body limit of our code, we studied the controversial topic of tunneling delay, and showed that our results agree with one recent experiment while disagreeing with another. Using the fully correlated version of the code, we demonstrated the ability of MCTDHF to address correlation by calculating the ground state ionization energies of a few strongly correlated systems.

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