Dear group,
In case anyone is interested, this is the plan for the next few sections:
Today I will present the Fock operator and Roothaan equations, without
deriving them. Then I will introduce second quantization.
Next week I will derive the Fock operator using second quantization
(Helgaker) and I will start talking about DFT.
Regards,
Sergio
On Mon, Jan 31, 2011 at 11:06 AM, Ivan Kassal <kassal(a)fas.harvard.edu> wrote:
Dear group,
Several of you asked to be notified when I'll be teaching what topics in
Chem 243. Everyone is welcome (MW 2-3:30 Pfizer) and the plan for the next
four lectures is roughly as follows:
1. (Today) Born-Oppenheimer approximation, diabatic and adiabatic
representations, avoided crossings and conical intersections (incl.
geometric phase), chemical arrangement channels, skewed coordinates
2. (Wed) Normal modes, transition-state theory, RRKM
3. (next Mon) Wavepacket approach to photodissociation and/or reactive
scattering
4. (next Wed) Electron transfer, which basically means Marcus theory
(Subject to violent changes without notice).
After that, Sergio will be doing some electronic structure theory.
Cheers,
Ivan
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