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Multi-reference Brillouin-Wigner perturbation theory for limited configuration interaction

Multi-reference Brillouin-Wigner perturbation theory for limited configuration interaction [Pg.171]

We wish to approximate the solutions of the time-independent Schrodinger equation [Pg.171]

Let us consider the projection of the exact wave function, ffa, onto the reference space i.e. [Pg.172]

The Pa ars, in general, non-orthogonal but are assumed to be linearly independent. The exact wavefunction. Pa, is expanded as follows  [Pg.172]

We now introduce the effective hamiltonian which acts in the reference space CP [Pg.173]




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Brillouin-Wigner configuration interaction theory

Brillouin-Wigner configuration interaction theory, multi-reference

Brillouin-Wigner perturbation

Brillouin-Wigner perturbation theory

Brillouin-Wigner theory

Configuration Interaction

Configuration interaction theory

Configurational interaction

Interacting limit

Interaction Theory

Limitations for

Multi configuration

Multi-reference Brillouin-Wigner perturbation

Multi-reference Brillouin-Wigner perturbation theory

Multi-reference configuration

Multi-reference perturbation

Perturbation theory Brillouin

Perturbational configuration interaction

Perturbative Configuration Interaction

Reference configuration

Reference limits

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