Full Configuration Interaction theory
Contents
Slater determinants as basis states, short reminder
Slater determinants as basis states, repetition
Slater determinants as basis states
Slater determinants as basis states
Quick repetition of the occupation representation
Quick repetition of the occupation representation
Quick repetition of the occupation representation
Full Configuration Interaction Theory
Full Configuration Interaction Theory
Full Configuration Interaction Theory
Full Configuration Interaction Theory
Full Configuration Interaction Theory
Full Configuration Interaction Theory
Example of a Hamiltonian matrix
Example of a Hamiltonian matrix with a Hartree-Fock basis
Shell-model jargon
FCI and the exponential growth
Exponential wall
A non-practical way of solving the eigenvalue problem
A non-practical way of solving the eigenvalue problem
A non-practical way of solving the eigenvalue problem
Rewriting the FCI equation
Rewriting the FCI equation
Rewriting the FCI equation, does not stop here
Rewriting the FCI equation, please stop here
Rewriting the FCI equation, more to add
Rewriting the FCI equation, more to add
Summarizing FCI and bringing in approximative methods
Definition of the correlation energy
FCI equation and the coefficients
Building a many-body basis
Building a many-body basis
Building a many-body basis
Building a many-body basis
Building a many-body basis
Building a many-body basis
Building a many-body basis
Building a many-body basis
Building a many-body basis
Building a many-body basis
Building a many-body basis
Building a many-body basis
Building a many-body basis
Example: two \( j=1/2 \) orbits
Index
\( n \)
\( l \)
\( j \)
\( m_j \)
1
0
0
1/2
-1/2
2
0
0
1/2
1/2
3
1
0
1/2
-1/2
4
1
0
1/2
1/2
Note that the order is arbitrary.
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