Theoretical electronic structure of RbCs revisited

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

B. Huron, Jean‐Paul Malrieu, P. Rancurel · The Journal of Chemical Physics · 1973 · 1.3K citations

Natural Sciences, Physics, Computational Chemistry +15

A theoretical method to determine atomic pseudopotentials for electronic structure calculations of molecules and solids

Philippe Durand, Jean‐Claude Barthelat · Theoretical Chemistry Accounts · 1975 · 896 citations

Natural Sciences, Chemistry, Physics +16

Convergence of an improved CIPSI algorithm

Stefano Evangelisti, Jean‐Pierre Daudey, Jean‐Paul Malrieu · Chemical Physics · 1983 · 449 citations

Computing, Computer Science, Algorithms +9

Nonperturbative method for core–valence correlation in pseudopotential calculations: Application to the Rb2 and Cs2 molecules

M. Foucrault, Ph. Millié, J. P. Daudey · The Journal of Chemical Physics · 1992 · 278 citations · Full text

Natural Sciences, Chemistry, Physics +15

Potential curves for the ground and excited states of the Na2 molecule up to the (3<i>s</i>+5<i>p</i>) dissociation limit: Results of two different effective potential calculations

S. Magnier, Ph. Millié, Olivier Dulieu et al. · The Journal of Chemical Physics · 1993 · 221 citations

Natural Sciences, Chemistry, Physics +17