Concepedia

Potential energy curves for transition metal dimers and complexes calculated by the approximately projected unrestricted Hartree-Fock and Møller-Plesset perturbation (APUMP) methods

Yoichi Takahara, Kizashi Yamaguchi, Takayuki Fueno

Chemical Physics Letters · 1989 · 54 citations · 21 references

DOI

Concepts

References

21

Gaussian basis sets for molecular calculations. The representation of 3<i>d</i> orbitals in transition-metal atoms

P. Jeffrey Hay · The Journal of Chemical Physics · 1977 · 2K citations

, , +14

Potential energy curves using unrestricted Mo/ller–Plesset perturbation theory with spin annihilation

H. Bernhard Schlegel · The Journal of Chemical Physics · 1986 · 665 citations

, , +15

A systematic preparation of new contracted Gaussian type orbital set. I. Transition metal atoms from Sc to Zn

Hiroshi Tatewaki, Sigeru Huzinaga · The Journal of Chemical Physics · 1979 · 246 citations

, , +13

Ab Initio MO Calculations of Effective Exchange Integrals between Transition-Metal Ions via Oxygen Dianions: Nature of the Copper-Oxygen Bonds and Superconductivity

Kizashi Yamaguchi, Yoichi Takahara, Takayuki Fueno et al. · Japanese Journal of Applied Physics · 1987 · 232 citations

, , +17

Electronic structure and vibrational frequency of Cr2

V. E. Bondybey, J. H. English · Chemical Physics Letters · 1983 · 231 citations

, , +14