[CPMD-list] Electron tunneling

AO Alaka aoa101 at york.ac.uk
Tue Jul 27 23:28:58 CEST 2004


Hi, everyone. Im a newbie to cpmd and I was wondering if there was a way
to show (or simulate) electron tunneling through a chemical (covalent)
bond (within the LSDA) for an isolated molecule.

Thanks in advance




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