31 Oct
2012
31 Oct
'12
10:54 a.m.
Hello all,
Just wanted to send a reminder about the group meeting at 2:30 pm
today at the division room. Also we still have slots open for meeting
with the speaker, let me know if anyone is interested.
Best,
Supriya
On Mon, Oct 29, 2012 at 11:24 AM, Supriya Shrestha
<sshrestha(a)fas.harvard.edu> wrote:
Hi everyone,
We will have a special group meeting this Wednesday(10/31) at 2:30 pm.
The speaker is Shirin Faraji from Ruprecht-Karls Universität
Heidelberg . If you want to sign up for a meeting with her after the
talk, let me know. She is available for meeting with group members
from 3:30 - 4:30.
Below is the abstract of her talk:
Title: Multi-mode multi-state quantum dynamics on medium-sized and
relatively large molecules
* Breakdown of the Born-Oppenheimer approximation and nonadiabatic chemistry
* Diabatization methods
* Vibronic Coupling model
* Vibronic Coupling dynamics
* Wave-packet propagation
-Standard methods
-Time Dependent Hartree method
-Multi Configuration Time Dependent Hartree (MCTDH)
*Application of multi-state multi-mode vibronic coupling model on
medium-sized polyatomic molecules utilizing MCTDH
* Towards larger molecules:
-Multi-layer MCTDH
-Effective mode algorithm
-System-bath formalism
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