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Self-consistent field
Self-consistent field
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Non-relativistic and relativistic Hartree–Fock.
Hartree–Fock
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Dirac–Hartree–Fock
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Table of Contents
BAGEL user manual
First steps with BAGEL
Molecule specification
Self-consistent field
Configuration interaction
Multiconfiguration self-consistent field
Perturbation theory
SMITH3-generated code
Nuclear gradients and related functionalities
Active space decomposition method
Miscellaneous features
Supplementary information
Author contributions
Funding and citation
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Hartree–Fock
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Self-consistent field