Concepedia

Theoretical study of electron correlation effects in transition metal dimers

Guru Das, Richard L. Jaffe

Chemical Physics Letters · 1984 · 13 citations · 8 references

DOI

Concepts

References

8

Roothaan-Hartree-Fock atomic wavefunctions

E. Clementi, C. Roetti · Atomic Data and Nuclear Data Tables · 1974 · 5.5K citations

CASSCF/CI calculations for first row transition metal hydrides: The TiH (4Φ), VH (5Δ), CrH (6Σ+), MnH (7Σ+), FeH (4,6Δ), and NiH (2Δ) states

Stephen P. Walch, Charles W. Bauschlicher · The Journal of Chemical Physics · 1983 · 169 citations

, , +14

The spin-coupled valence bond theory of molecular electronic structure. I. Basic theory and application to the 2Σ+ states of BeH

Joseph Gerratt, M. Raimondi · Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 1980 · 126 citations

, , +17

The bond length and electronic structure of V2

Patrick R. R. Langridge‐Smith, Michael D. Morse, George P. Hansen et al. · The Journal of Chemical Physics · 1984 · 126 citations

, , +17

Nature of Mo-Mo and Cr-Cr Multiple Bonds: A Challenge for the Local-Density Approximation

Marvin M. Goodgame, William A. Goddard · Physical Review Letters · 1982 · 120 citations

, , +14