Chemistry 883 Fall 2008 Homework Problem #1
Calculate the Hartee Fock energy and wavefunction for a two electron
system (assigned in class) using a two component STO expansion.
A
AB
cc
B
ϕ
χχ
=
+
Where
33
&
AB
ar br
ab
ee
χχ
ππ
−
−
==
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Calculating Hartree-Fock Energy & Wavefunction for Two-Electron System, Assignments of Quantum Chemistry
A homework problem for a chemistry 883 fall 2008 class, where students are asked to calculate the hartree-fock energy and wavefunction for a two-electron system using a two-component sto expansion. The given wavefunction and integrals for the calculation.
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Chemistry 883 Fall 2008 Homework Problem # Calculate the Hartee Fock energy and wavefunction for a two electron system (assigned in class) using a two component STO expansion.
ϕ = c A χ A +cB χB
Where 3 3 A & B