- #1
Derivator
- 149
- 0
hi,
why does one choose in Hartree Fock theory the following type of spin orbitals?
spinorbital(r,s) = spacialOrbital(r)*alpha(s)
or
spinorbital(r,s) = spacialOrbital(r)*beta(s)
where alpha(s) is the spin up function and beta(s) the spin down function.
Why does one not choose the spin part of the spin orbitals as a linear combination of spin up and down, that is:
spinorbital(r,s) = spacialOrbital(r)*(a*alpha(s) + b*beta(s) )
--derivator
why does one choose in Hartree Fock theory the following type of spin orbitals?
spinorbital(r,s) = spacialOrbital(r)*alpha(s)
or
spinorbital(r,s) = spacialOrbital(r)*beta(s)
where alpha(s) is the spin up function and beta(s) the spin down function.
Why does one not choose the spin part of the spin orbitals as a linear combination of spin up and down, that is:
spinorbital(r,s) = spacialOrbital(r)*(a*alpha(s) + b*beta(s) )
--derivator