Many electron atoms - last part
The Selfconsistent Field Course (1995 and later, Stockholm, Bergen)
https://folk.uib.no/AMOS/Hartree/
( see also https://folk.uib.no/AMOS/Hartree/lindex.html
and
https://folk.uib.no/AMOS/Hartree/herman.html
)
The program can be run on any machine with Fortran compiler, but we
have pre-compiled versions
for Windows and newer Mac (since about 2006).
Task: we use the prescription from last year as first version:
../2010.10.14/
This lecture:
1. Non-local interactions - nonlocality of the exchange potential
2. The meaning of orbital energies, related to total energy
3. About excited states of many-electron atoms - configurations
4. Configuration mixing discussed in the Helium part (last
part of 2011_09_08/index.html
)
1. nonlocal interaction (exchange term in SCF )
01-Nonlocal_interactions_quantum-mechanics.png
01-Nonlocal_interactions_quantum-mechanics.png
2. nonlocal interaction related to "velocity dependent"
interactions - potentials
02-Velocity_dependent_and_Nonlocal_interactions.png
02-Velocity_dependent_and_Nonlocal_interactions.png
The meaning of orbital
energies in SCF
03_SCF-orbital_energies.png
03_SCF-orbital_energies.png
Excited states in SCF
-
orbital energies - independent particles
(one free electron, more electrons, discussed Na and Mg )
04-SCF-excited-state-orbitals.png
04-SCF-excited-state-orbitals.png
Configuration mixing discussed in the Helium part
(last part of 2011_09_08/index.html
)
Next lecture: Topics from Optics