An extrapolation scheme for spin–orbit configuration interaction energies applied to the ground and excited electronic states of thallium hydride

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

Quantum electrodynamical corrections to the fine structure of helium

Marvin Douglas, N. Kroll · Annals of Physics · 1974 · 2.9K citations

Natural Sciences, Physics, Atomic Physics +10

Relativistic electronic-structure calculations employing a two-component no-pair formalism with external-field projection operators

Bernd A. Heß · Physical review. A, General physics · 1986 · 2.5K citations

Natural Sciences, Chemistry, Physics +17

The zero-order regular approximation for relativistic effects: The effect of spin–orbit coupling in closed shell molecules

Erik van Lenthe, J. G. Snijders, Evert Jan Baerends · The Journal of Chemical Physics · 1996 · 1.8K citations · Full text

Natural Sciences, Chemistry, Physics +15

Individualized configuration selection in CI calculations with subsequent energy extrapolation

Robert J. Buenker, Sigrid D. Peyerimhoff · Theoretical Chemistry Accounts · 1974 · 1.3K citations

Natural Sciences, Computational Engineering, Computational Chemistry +4