A quadratically convergent MCSCF method for the simultaneous optimization of several states

Successive Approximations by the Rayleigh-Ritz Variation Method

1933 • 707 citations

Numerische Berechnung der 2S-Terme von Ortho- und Par-Helium

1930 • 512 citations

LiH Potential Curves and Wavefunctions for X 1Σ+, A 1Σ+, B 1Π, 3Σ+, and Π3

1972 • 361 citations

A quadratically convergent multiconfiguration–self-consistent field method with simultaneous optimization of orbitals and CI coefficients

1980 • 354 citations

Generalized brillouin theorem for multiconfigurational <scp>SCF</scp> theories

1968 • 322 citations

<scp>MCSCF</scp> optimization through combined use of natural orbitals and the brillouin–levy–berthier theorem

1979 • 308 citations

Optimization of orbitals for multiconfigurational reference states

1978 • 275 citations

General second order MCSCF theory: A density matrix directed algorithm

1980 • 215 citations

Convergency studies of second and approximate second order multiconfigurational Hartree−Fock procedures

1979 • 145 citations

Theoretical dipole moment functions of the HF, HCl, and HBr molecules

1980 • 142 citations

Multiconfiguration wavefunctions obtained by application of the generalized Brillouin theorem

1971 • 133 citations

A quadratically convergent reference state optimization procedure

1979 • 94 citations

Multiconfiguration wavefunctions for excited states. Selection of optimal configurations: The b 1Σ+ and d 1Σ+ states of NH

1977 • 71 citations

Multiconfiguration self-consistent field (MCSCF) theory for excited states

1973 • 56 citations

A numerical study of the convergency of second and approximate second-order multiconfiguration Hartree-Fock procedures

1980 • 55 citations

Generalized brillouin theorem multiconfiguration method for excited states

1977 • 53 citations

Mode damping in multiconfigurational Hartree–Fock procedures

1980 • 41 citations

MCSCF wave functions for excited states of polar molecules: Application to BeO

1980 • 38 citations

Ab initio calculation of the dipole moment function of hydrogen iodide

1981 • 35 citations

Improved convergence of self‐consistence procedures in the <scp>MC SCF</scp> theory

1975 • 25 citations

Extension of ground state variational methods

1979 • 20 citations

Computation scheme for optimizing multiconfigurational wave‐functions

1976 • 14 citations