A full CI algorithm on the CRAY T3D. Application to the NH3 molecule

The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices

Ernest R. Davidson · Journal of Computational Physics · 1975 · 2.5K citations

Computing, Computer Science, Algorithms +15

Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces

Jeppe Olsen, Björn O. Roos, Poul Jo rgensen et al. · The Journal of Chemical Physics · 1988 · 1.1K citations

Natural Sciences, Computer Science, Computational Chemistry +10

A new determinant-based full configuration interaction method

Peter J. Knowles, Nicholas C. Handy · Chemical Physics Letters · 1984 · 619 citations

Natural Sciences, Mathematics, Optimization +2

Passing the one-billion limit in full configuration-interaction (FCI) calculations

Jeppe Olsen, Poul Jørgensen, Jack Simons · Chemical Physics Letters · 1990 · 385 citations

Natural Sciences, Computer Science, Computational Physics +5

A new direct CI method for large CI expansions in a small orbital space

Per E. M. Siegbahn · Chemical Physics Letters · 1984 · 256 citations

Natural Sciences, Computer Science, Computational Chemistry +4