Guaranteed convergence in ground state multiconfigurational self-consistent field calculations

Practical Methods of Optimization

2009 • 6,596 citations

Excited States of H2O using improved virtual orbitals

1969 • 599 citations

Second Quantization-Based Methods in Quantum Chemistry

1981 • 525 citations

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

1981 • 504 citations

A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions

1973 • 355 citations

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

1980 • 354 citations

Optimization of orbitals for multiconfigurational reference states

1978 • 275 citations

General second order MCSCF theory: A density matrix directed algorithm

1980 • 215 citations

On methods for converging open-shell Hartree-Fock wave-functions

1974 • 208 citations

Comparison of the convergence characteristics of some iterative wave function optimization methods

1982 • 159 citations

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

1979 • 145 citations

A quadratically convergent reference state optimization procedure

1979 • 94 citations

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

1980 • 55 citations

Multiconfigurational Hartree–Fock studies of avoided curve crossing using the Newton–Raphson technique

1982 • 44 citations

Mode damping in multiconfigurational Hartree–Fock procedures

1980 • 41 citations

Newton-Raphson approaches and generalizations in multiconfigurational self-consistent field calculations

1982 • 26 citations

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

1975 • 25 citations

Cubic contributions in multiconfigurational self-consistent-field (MCSCF) calculations

1982 • 23 citations