Numerical methods for quantum molecular dynamics
The time-dependent Schrödinger equation models the quantum nature of molecular processes. Numerical simulations of these models help in understanding and predicting the outcome of chemical reactions. In this thesis, several numerical algorithms for evolving the Schrödinger equation with an explicitl...
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| Format: | Others |
| Language: | English |
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Uppsala universitet, Avdelningen för teknisk databehandling
2009
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-108366 |