Ab initio calculations of the polarizability and the hyperpolarizability of C60

The linear polarizability, α, and the second hyperpolarizability, γ, of C60 in gas phase have been computed by ab initio cubic response theory in the random phase approximation and with an efficien ...

[1]  Prasad,et al.  Frequency dependence of linear and nonlinear optical properties of conjugated polyenes: An ab initio time-dependent coupled Hartree-Fock study. , 1992, Physical review. A, Atomic, molecular, and optical physics.

[2]  Bartoli,et al.  Nonlinear optical properties of the fullerenes C60 and C70 at 1.064 microm. , 1993, Physical review. B, Condensed matter.

[3]  K. Harigaya,et al.  Dispersion of the Third-Order Nonlinear Optical Susceptibility in C60 Calculated with a Tight-Binding Model , 1992, cond-mat/9205012.

[4]  Partanen,et al.  Comment on "Large infrared nonlinear optical response of C60" , 1992, Physical review letters.

[5]  Qihuang Gong,et al.  Large third-order nonlinear optical properties of C70 fullerene in the infrared regime , 1992 .

[6]  Francesco Zerbetto,et al.  Frequency-Dependent Second-Order Hyperpolarizability of Carbon Clusters: A Semiempirical Investigation , 1995 .

[7]  Trygve Helgaker,et al.  Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes , 1996 .

[8]  Paras N. Prasad,et al.  Nonlinear optical properties of the fullerene (C60) molecule: theoretical and experimental studies , 1992 .

[9]  Lucas,et al.  Polarization waves and van der Waals cohesion of C60 fullerite. , 1992, Physical review. B, Condensed matter.

[10]  Herman Vanherzeele,et al.  Dispersion of the third-order optical nonlinearity of C60. A third-harmonic generation study , 1992 .

[11]  B. Cardelino,et al.  Static Third-Order Polarizability Calculations for C60, C70, and C84 , 1996 .

[12]  Hammond,et al.  Near-field imaging of atom diffraction gratings: The atomic Talbot effect. , 1995, Physical review. A, Atomic, molecular, and optical physics.

[13]  R. Vijaya,et al.  Degenerate four-wave mixing in the carbon cluster C60 , 1992 .

[14]  P. Jørgensen,et al.  Response Theory and Calculations of Molecular Hyperpolarizabilities , 1995 .

[15]  Chia-Chung Sun,et al.  Calculations on the spectra and nonlinear third-order optical susceptibility of c70 , 1994 .

[16]  John C. Wright,et al.  Measurement of the resonant third-order nonlinear susceptibility of C60 by nondegenerate four-wave mixing , 1996 .

[17]  W. Krätschmer,et al.  Electron energy-loss spectroscopy studies on C60 and C70 fullerite , 1992 .

[18]  Anthony F. Garito,et al.  Dispersion measurements of electric-field-induced second-harmonic generation and third-harmonic generation in conjugated linear chains , 1991 .

[19]  Tang,et al.  Third-order optical nonlinearity of C60, C70, and CS2 in benzene at 1.06 microm. , 1993, Physical review. B, Condensed matter.

[20]  Horst Weiss,et al.  A direct algorithm for self‐consistent‐field linear response theory and application to C60: Excitation energies, oscillator strengths, and frequency‐dependent polarizabilities , 1993 .

[21]  P. Jørgensen,et al.  Large scale random phase calculations for direct self-consistent field wavefunctions , 1993 .

[22]  Byrne,et al.  Large infrared nonlinear optical response of C60. , 1991, Physical review letters.

[23]  H. Ågren,et al.  Direct atomic orbital based self‐consistent‐field calculations of nonlinear molecular properties. Application to the frequency dependent hyperpolarizability of para‐nitroaniline , 1993 .

[24]  O. Nerushev,et al.  Anomalous polarizability of fullerene , 1993 .

[25]  David A. Dixon,et al.  Semiempirical calculations of the polarizability and second-order hyperpolarizability of fullerenes (C60 and C70), and model aromatic compounds , 1992 .

[26]  E. Westin,et al.  Calculation of the dispersion of the third-order optical nonlinearity in C60 films , 1995 .

[27]  H. Ågren,et al.  The hyperpolarizability dispersion of para-nitroaniline , 1993 .

[28]  Kafafi,et al.  Comment on "Large infrared nonlinear optical response of C60" , 1992, Physical review letters.

[29]  R. Fleming,et al.  Deposition and characterization of fullerene films , 1991 .

[30]  Zakya H. Kafafi,et al.  Off-resonant nonlinear optical properties of C60 studied by degenerate four-wave mixing , 1992 .

[31]  R. Zamboni,et al.  Wave-dispersed third-order nonlinear optical properties of C60 thin films , 1994 .

[32]  Roberto Zanasi,et al.  Electric and magnetic properties of the aromatic sixty-carbon cage , 1990 .

[33]  Wei Ji,et al.  Resonant optical nonlinearity of fullerenes in free-standing polymethyl methacrylate films , 1993 .

[34]  D. Dixon,et al.  Local density functional calculations of the polarizability and second-order hyperpolarizability of fullerene-C60 , 1992 .

[35]  Yi Luo,et al.  One- and Two-Photon Absorption Spectra of Short Conjugated Polyenes , 1994 .

[36]  J. Pople,et al.  Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules , 1971 .

[37]  H. Ågren,et al.  Cubic response functions in the random phase approximation , 1995 .

[38]  Ying Wang,et al.  Nonlinear optical properties of fullerenes and charge-transfer complexes of fullerenes , 1992 .

[39]  P. Ye,et al.  Studies of third-order optical nonlinearities in C(60)-toluene and C(70)-toluene solutions. , 1992, Optics letters.