The equation-of-motion coupled-cluster method: Excitation energies of Be and CO

A full coupled-cluster singles and doubles model: The inclusion of disconnected triples

George D. Purvis, Rodney J. Bartlett · The Journal of Chemical Physics · 1982 · 6.5K citations

Natural Sciences, Chemistry, Physics +17

On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods

The Journal of Chemical Physics · 1966 · 3.1K citations

Natural Sciences, Chemistry, Physics +15

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

Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1971 · 2.2K citations

Natural Sciences, Chemistry, Physics +16

Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules

Rodney J. Bartlett · Annual Review of Physical Chemistry · 1981 · 2.1K citations

Natural Sciences, Chemistry, Physics +16