Berlin 2005 – wissenschaftliches Programm

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CPP: Chemische Physik und Polymerphysik

CPP 11: Light induced phenomena II

CPP 11.5: Vortrag

Montag, 7. März 2005, 12:15–12:30, TU C230

The Multi-Configuration Time-Dependent Hartree-Fock (MCTDHF) method for quantum chemical calculations — •Mathias Nest — Universität Potsdam

We discuss the Multi-Configuration Time-Dependent Hartree-Fock (MCTDHF) method as a tool for correlated quantum dynamical and electronic structure calculations. For the former, the time-dependent Schrödinger equation is solved in real time, for the latter it is solved in imaginary time. We present applications such as inverse photoemission spectroscopy and the calculation of eigenstates. The scaling behaviour and the natural potential expansion are discussed.