Studies using the CASSCF wavefunction

A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach

1980 • 3,584 citations

Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions

1973 • 1,200 citations

The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule

1981 • 1,087 citations

A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF Method

1980 • 698 citations

Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. I

1968 • 626 citations

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

1981 • 504 citations

New alternative to the Dunham potential for diatomic molecules

1973 • 497 citations

A quadratically convergent Hartree—Fock (QC-SCF) method. Application to closed shell systems

1981 • 410 citations

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

1980 • 354 citations

Variational calculation of vibration-rotation energy levels for triatomic molecules

1975 • 349 citations

Analytic gradients from correlated wave functions via the two-particle density matrix and the unitary group approach

1980 • 301 citations

A simple method for the evaluation of the second-order-perturbation energy from external double-excitations with a CASSCF reference wavefunction

1982 • 279 citations

Optimization of orbitals for multiconfigurational reference states

1978 • 275 citations

Derivative studies in configuration–interaction theory

1980 • 262 citations

The quartic force field of H2O determined by many-body methods that include quadruple excitation effects

1979 • 259 citations

General second order MCSCF theory: A density matrix directed algorithm

1980 • 215 citations

Gradient techniques for open-shell restricted Hartree–Fock and multiconfiguration self-consistent-field methods

1979 • 199 citations

A multiconfigurational time-dependent hartree-fock approach

1979 • 191 citations

Improved potential functions for bent AB2 molecules: Water and ozone

1976 • 181 citations

Algebraic approximation in many-body perturbation theory

1976 • 167 citations

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

1982 • 159 citations

Time-dependent multiconfigurational Hartree–Fock theory

1980 • 155 citations

A second order MCSCF method for large CI expansions

1981 • 153 citations

A b i n i t i o SCF and CI studies on the ground state of the water molecule. II. Potential energy and property surfaces

1976 • 150 citations

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

1979 • 145 citations

Approximate Methods in the Quantum Theory of Many-Fermion Systems

1961 • 125 citations

Molecular <scp>MC</scp>–<scp>SCF</scp> calculations

1970 • 113 citations

A quadratically convergent reference state optimization procedure

1979 • 94 citations

Exponential transformation of molecular orbitals: A quadratically convergent SCF procedure. I. General formulation and application to closed-shell ground states

1980 • 80 citations

Modified potentials in many-body perturbation theory

1976 • 72 citations

A quadritically convergent hartree-fock (QC-SCF) method. Application to open shell orbital optimization and coupled perturbed hartree-fock calculations

1982 • 61 citations

Energy derivatives for configuration interaction wave functions

1981 • 58 citations

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

1982 • 44 citations

Methylene singlet-triplet separation. An explicit variational treatment of many-body correlation effects

1981 • 39 citations

Hartree—Fock Hamiltonians and Separable Nonlocal Potentials

1964 • 23 citations

Application of Simons-Parr-Finlan expansions to ab initio force fields for bent AB₂ molecules

1979 • 9 citations