Concepedia

Full CI calculations on BH, H2O, NH3, and HF

Robert J. Harrison, Nicholas C. Handy

Chemical Physics Letters · 1983 · 214 citations · 21 references

DOI

Concepts

References

21

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

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

, , +17

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

, , +15

Configuration interaction calculations on the nitrogen molecule

Stephen R. Langhoff, Ernest R. Davidson · International Journal of Quantum Chemistry · 1974 · 2.9K citations

, , +16

Many‐body perturbation theory, coupled‐pair many‐electron theory, and the importance of quadruple excitations for the correlation problem

Rodney J. Bartlett, George D. Purvis · International Journal of Quantum Chemistry · 1978 · 1.6K citations

, , +16