Theoretical surface-enhanced Raman spectra study of substituted benzenes

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 98.6K citations

Electron Density, Gradient Expansions, Engineering +14

A new mixing of Hartree–Fock and local density-functional theories

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<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.3K citations

Electron Density, Innermost Core Electron, Outer Core Orbitals +12

Note on an Approximation Treatment for Many-Electron Systems

CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.4K citations

Numerical Analysis, Engineering, Zero-order Approximation +16

Raman spectra of pyridine adsorbed at a silver electrode

M. Fleischmann, P.J. Hendra, A. James McQuillan · Chemical Physics Letters · 1974 · 7K citations

Spectroscopic Method, Engineering, Silver Electrode +6