Navigation

  • next
  • previous |
  • BAGEL Manual »
  • BAGEL user manual »
  • Multiconfiguration self-consistent field

Multiconfiguration self-consistent fieldΒΆ

Non-relativistic and relativistic multi-configuration self-consistent field.

  • Complete active space self-consistent field (CASSCF)
    • Description
    • Keywords
    • Example
    • References
  • Relativistic complete active space self-consistent field (RelCASSCF)
    • Description
    • Keywords
    • Example
    • References

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

Previous topic

Restricted active space configuration interaction (RASCI)

Next topic

Complete active space self-consistent field (CASSCF)

Quick search

Navigation

  • next
  • previous |
  • BAGEL Manual »
  • BAGEL user manual »
  • Multiconfiguration self-consistent field
© Copyright 2017, Shiozaki Group.