Simplified sum-over-states calculations and missing-orbital analysis on hyperpolarizabilities of benzene derivatives

Hyperpolarizabilities of the nitroanilines and their relations to the excited state dipole moment

J Oudar, D. S. Chemla · The Journal of Chemical Physics · 1977 · 2.2K citations

Natural Sciences, Chemistry, Physics +9

Perturbation theory of the non-linear optical polarization of an isolated system

Brian J. Orr, John F. Ward · Molecular Physics · 1971 · 1.3K citations

Natural Sciences, Physics, Molecular Physics +12

Theory of the Electronic Spectra and Structure of the Polyacenes and of Alternant Hydrocarbons

Rudolph Pariser · The Journal of Chemical Physics · 1956 · 1.1K citations

Natural Sciences, Chemistry, Physics +17

Principles for a direct <scp>SCF</scp> approach to <scp>LICAO</scp>–<scp>MO</scp><i>ab</i>‐<i>initio</i> calculations

Knut Korsell · Journal of Computational Chemistry · 1982 · 729 citations

Natural Sciences, Chemistry, Physics +10

<i>A</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> analytic polarizability, first and second hyperpolarizabilities of large conjugated organic molecules: Applications to polyenes C4H6 to C22H24

G. J. B. Hurst, Michel Dupuis, E. Clementi · The Journal of Chemical Physics · 1988 · 475 citations

Natural Sciences, Chemistry, Physics +16