Why does unrestricted Mo/ller–Plesset perturbation theory converge so slowly for spin-contaminated wave functions?

Note on an Approximation Treatment for Many-Electron Systems

1934 • 13,955 citations

Ab initio molecular orbital theory

1976 • 7,942 citations

Modern quantum chemistry : introduction to advanced electronic structure theory

1982 • 3,694 citations

An algorithm for the location of transition states

1986 • 1,430 citations

Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theory

1980 • 1,192 citations

Electron correlation theories and their application to the study of simple reaction potential surfaces

1978 • 1,027 citations

Potential energy curves using unrestricted Mo/ller–Plesset perturbation theory with spin annihilation

1986 • 663 citations

On the convergence of the M�ller-Plesset perturbation series

1985 • 296 citations

Moeller-Plesset perturbation theory with spin projection

1988 • 282 citations

Reflections on the scientific career of Jeremy Musher

1976 • 271 citations

The shape-driven graphical unitary group approach to the electron correlation problem. Application to the ethylene molecule

1982 • 237 citations

The calculation of higher-order energies in the many-body perturbation theory series

1985 • 152 citations

Slow convergence of the møller-plesset perturbation series: the dissociation energy of hydrogen cyanide and the electron affinity of the cyano radical

1987 • 142 citations

Deceptive convergence in møller-plesset perturbation energies

1986 • 102 citations

Projected unrestricted Mo/ller–Plesset second-order energies

1988 • 91 citations

The evaluation of molecular electron affinities

1986 • 85 citations

Convergence of projected unrestricted Hartee-Fock Moeller-Plesset series.

1988 • 68 citations

Electron affinity calculations on NH−2, PH−2, CN−, SH−, OH−, Cl−, and F−: Basis sets and direct vs indirect methods

1987 • 43 citations

How well can RMP4 theory treat homolytic fragmentations?

1988 • 19 citations