Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.5K citations

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Linear and nonlinear response functions for an exact state and for an MCSCF state

Jeppe Olsen, Poul Jo rgensen · The Journal of Chemical Physics · 1985 · 1.1K citations

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<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

Self-Consistent Molecular Orbital Methods. XIV. An Extended Gaussian-Type Basis for Molecular Orbital Studies of Organic Molecules. Inclusion of Second Row Elements

Warren J. Hehre, William A. Lathan · The Journal of Chemical Physics · 1972 · 218 citations

Natural Sciences, Chemistry, Physics +17

<i>Ab initio</i> finite oligomer method for nonlinear optical properties of conjugated polymers. Hartree–Fock static longitudinal hyperpolarizability of polyacetylene

Bernard Kirtman, Joseph L. Toto, Kathleen A. Robins et al. · The Journal of Chemical Physics · 1995 · 106 citations

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