Concepedia

A test of the Hirshfeld definition of atomic charges and moments

Ernest R. Davidson, Subhas J. Chakravorty

Theoretical Chemistry Accounts · 1992 · 313 citations · 13 references

DOI

Concepts

References

13

Natural population analysis

Alan E. Reed, Robert B. Weinstock, Frank Weinhold · The Journal of Chemical Physics · 1985 · 9.8K citations

, , +4

Bonded-atom fragments for describing molecular charge densities

F. L. Hirshfeld · Theoretical Chemistry Accounts · 1977 · 6.9K citations

, , +14

Roothaan-Hartree-Fock atomic wavefunctions

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

A multicenter numerical integration scheme for polyatomic molecules

Axel D. Becke · The Journal of Chemical Physics · 1988 · 2.7K citations

, , +13

Coherent X-Ray Scattering for the Hydrogen Atom in the Hydrogen Molecule

Robert F. Stewart, Ernest R. Davidson, William T. Simpson · The Journal of Chemical Physics · 1965 · 2.7K citations

, , +17