Large-scale correlated electronic structure calculations: the RI-MP2 method on parallel computers

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.7K citations

Natural Sciences, Chemistry, Physics +17

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

Rick A. Kendall, Thom H. Dunning, Robert J. Harrison · The Journal of Chemical Physics · 1992 · 15.5K citations

Natural Sciences, Chemistry, Physics +17

Integral approximations for LCAO-SCF calculations

Olav Vahtras, Martin W. Feyereisen · Chemical Physics Letters · 1993 · 1.7K citations

Natural Sciences, Computer Science, Computational Chemistry +11

On some approximations in applications of <i>X</i>α theory

Brett I. Dunlap, John Connolly, John R. Sabin · The Journal of Chemical Physics · 1979 · 1.5K citations

Natural Sciences, Chemistry, Physics +13

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

Martin W. Feyereisen, George Fitzgerald, Andrew Komornicki · Chemical Physics Letters · 1993 · 1.3K citations

Natural Sciences, Chemistry, Physics +12