Use of Symmetry-Adapted Brillouin Theorem to Analyze the Variational Content of Molecular Wave Functions Along Potential Energy Surfaces: Application to BH~2 and PO~2

1997-01-01

German National Library of Science and Technology (GetInfo) (German)

The generalised Brillouin theorem

1999-01-01

Optimization of orbitals for multiconfigurational reference states

1978-01-01

Identifications of Auger spectra from 2-MeV foil-excited carbon ions

1977-01-01

Cluster expansion of the wavefunction. Symmetry-adapted-cluster expansion, its variational determination, and extension of open-shell orbital theory

Beyond the time independent mean field theory for nuclear and atomic reactions: Inclusion of particle-hole correlations in a generalized random phase approximation

1994-01-01

A quadratically convergent multiconfigurationâ€“self-consistent field method with simultaneous optimization of orbitals and CI coefficients

1980-01-01

A novel perturbation-based complete active space-self-consistent-field algorithm: Application to the direct calculation of localized orbitals

2002-01-01