Table 3 The most frequently cited references from specific reference publication years cited by DFT publications for the time period 1950–1989

CR51

Slater J., A Simplification of the Hartree–Fock Method, Physics Reviews 81, 385–390

CR52

Roothaan, C., New developments in molecular orbital theory, Reviews of Modern Physics 23, 69–89

CR53

Mulliken, R., Electronic population analysis on LCAO-MO molecular wave functions, Journal of Chemical Physics 23, 1833–1840

CR54

Hohenberg, P.; Kohn, W., Inhomogeneous electron gas, Physical Review B 136, 864–871

CR55

Kohn, W.; Sham, L.J., Self-consistent equations including exchange and correlation effects, Physical Review A 140, 1133–1138

CR56

Boys, S.; Bernardt, F., The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors, Molecular Physics 19, 553–566

CR57

Hehre,W., Self-consistent molecular orbital methods. XII. Further extensions of Gaussian-type basis sets for use in molecular orbital studies of organic molecules, Journal of Chemical Physics 56, 2257–2261

CR58

Hariharan, P., Influence of polarization functions on MO hydrogenation energies, Theoretica Chimica Acta 28, 213–222

CR59

Baerends, E., Self-consistent molecular Hartree–Fock-Slater calculations. I. Computational procedure, Chemical Physics 2, 41–51

CR60

Monkhorst, H., Special points for Brillouin-zone integrations, Physical Review B 13, 5188–5192

CR61

Vosko, S., Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis, Canadian Journal of Physics 58, 1200–1211

CR62

Hay, P., Ab initio effective core potentials for molecular calculations—potentials For K to Au including the outermost core orbitals, Journal of Chemical Physics, 82, 299–310

CR63

Hay, P., Ab initio effective core potentials for molecular calculations—potentials for the transition-metal atoms Sc to Hg, Journal of Chemical Physics, 82, 270–283

CR64

Perdew, J., Density-functional approximation for the correlation energy of the inhomogeneous electron gas, Physical Review B 33, 8822–8824

CR65

Lee, C., Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density, Physical Review B 37, 785–789

CR66

Becke, A., Density-functional exchange-energy approximation with correct asymptotic behavior, 1988, Physical Review A 38, 3098–3100