Tuesday, October 20, 2009

Simulation and visualisation of quantum dynamics

ack, a student in PHYS3170 brought to the class attention the site for the WAVEPACKET simulation project. It has some really nice animations of quantum dynamics on potential energy surfaces and non-adiabatic dynamics near a conical intersection.


No comments:

Post a Comment

Quantum justification for classical discussions of potential energy surfaces

 In computational quantum chemistry, the Born-Oppenheimer approximation (BOA) is used to determine potential energy surfaces (PES) for elect...