CEPA calculations on open-shell molecules. I. Outline of the method

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

Björn O. Roos, Peter R. Taylor, Per E.M. Sigbahn · Chemical Physics · 1980 · 4K citations

Computing, Computer Science, Scientific Computing +7

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

Wilfried Meyer · The Journal of Chemical Physics · 1973 · 1K citations

Natural Sciences, Chemistry, Physics +17

Self-consistent field theory of the electron spin distribution in π-electron radicals

A. McLachlan · Molecular Physics · 1960 · 683 citations

Natural Sciences, Chemistry, Physics +17

Size consistency in the dilute helium gas electronic structure

Ernest R. Davidson, Donald W. Silver · Chemical Physics Letters · 1977 · 620 citations

Natural Sciences, Physics, Condensed Matter Physics +13

Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions

Wilfried Meyer · The Journal of Chemical Physics · 1976 · 354 citations

Natural Sciences, Physics, Computational Chemistry +16