Ab initio study of the nonlinear optical properties of urea: Electron correlation and dispersion effects
暂无分享,去创建一个
[1] Seth R. Marder,et al. Electric Field Modulated Nonlinear Optical Properties of Donor-Acceptor Polyenes: Sum-Over-States Investigation of the Relationship between Molecular Polarizabilities (.alpha., .beta., and .gamma.) and Bond Length Alternation , 1994 .
[2] P. Prasad,et al. Nonlinear optical properties of novel thiophene derivatives: Experimental and abinitio time‐dependent coupled perturbed Hartree–Fock studies , 1993 .
[3] D. Dudis,et al. Vibronic contribution to static molecular hyperpolarizabilities , 1993 .
[4] J. Perry,et al. Relation Between Bond-Length Alternation and Second Electronic Hyperpolarizability of Conjugated Organic Molecules , 1993, Science.
[5] D. M. Bishop,et al. Calculation of vibrational dynamic hyperpolarizabilities for H2O, CO2, and NH3 , 1993 .
[6] Michel Dupuis,et al. Electron correlation effects in hyperpolarizabilities of p-nitroaniline , 1993 .
[7] D. Dixon,et al. Semiempirical calculations of hyperpolarizabilities for extended π systems : polyenes, polyynes, and polyphenyls , 1992 .
[8] David A. Dixon,et al. Semiempirical calculations of hyperpolarizabilities for donor-acceptor molecules: comparison to experiment , 1992 .
[9] P. Jørgensen,et al. Frequency-dependent hyperpolarizability of hydrogen fluoride , 1992 .
[10] 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.
[11] P. Prasad,et al. Dispersion of linear and nonlinear optical properties of benzene: An ab initio time‐dependent coupled‐perturbed Hartree–Fock study , 1991 .
[12] M. Dupuis,et al. Hydrogen bonds and (hyper)polarizabilities in molecular crystals : an ab initio SCF study of urea , 1991 .
[13] Seth R. Marder,et al. Materials for Nonlinear Optics Chemical Perspectives , 1991 .
[14] R. Bartlett,et al. Hyperpolarizabilities of molecules with frequency dependence and electron correlation , 1991 .
[15] S. Karna,et al. Frequency dependent nonlinear optical properties of molecules: Formulation and implementation in the HONDO program , 1991 .
[16] M. Spackman. Time‐dependent Hartree–Fock second‐order molecular properties with a moderately sized basis set. I. The frequency dependence of the dipole polarizability , 1991 .
[17] P. Prasad,et al. Nonlinear optical properties of p‐nitroaniline: An ab initio time‐dependent coupled perturbed Hartree–Fock study , 1991 .
[18] N. Handy,et al. Frequency dependent hyperpolarizabilities with application to formaldehyde and methyl fluoride , 1990 .
[19] P. Prasad,et al. Theoretical and experimental studies of optical nonlinearities of haloforms CHX3, X=F, Cl, Br, I , 1990 .
[20] M. Spackman. Accurate prediction of static dipole polarizabilities with moderately sized basis sets , 1989 .
[21] P. Prasad,et al. Ab initio calculations of polarizability and second hyperpolarizability in benzene including electron correlation treated by Møller-Plesset theory , 1989 .
[22] B. Pierce. A theoretical analysis of third‐order nonlinear optical properties of linear polyenes and benzene , 1989 .
[23] Michel Dupuis,et al. Ab initio analytic polarizability, first and second hyperpolarizabilities of large conjugated organic molecules: Applications to polyenes C4H6 to C22H24 , 1988 .
[24] C. W. Dirk,et al. The contribution of π electrons to second harmonic generation in organic molecules , 1986 .
[25] Hideo Sekino,et al. Frequency dependent nonlinear optical properties of molecules , 1986 .
[26] R. Bartlett,et al. Hyperpolarizabilities of the hydrogen fluoride molecule: A discrepancy between theory and experiment? , 1986 .
[27] Joseph Zyss,et al. Influence of the molecular environment in solution measurements of the Second-order optical susceptibility for urea and derivatives , 1982 .
[28] J. Zyss,et al. Nonlinear optical properties of organic crystals with hydrogen‐bonded molecular units: The case of urea , 1982 .
[29] R. Bartlett,et al. Molecular hyperpolarizabilities. I. Theoretical calculations including correlation , 1979 .
[30] Ian M. Mills,et al. Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree-Fock Calculations. I , 1968 .
[31] H. A. Levy,et al. The positions of hydrogen atoms in urea by neutron diffraction , 1957 .
[32] André Persoons,et al. THIRD-ORDER NONLINEAR OPTICAL RESPONSE IN ORGANIC MATERIALS : THEORETICAL AND EXPERIMENTAL ASPECTS , 1994 .
[33] David J. Williams,et al. Introduction to Nonlinear Optical Effects in Molecules and Polymers , 1991 .
[34] James J. P. Stewart,et al. Calculation of the nonlinear optical properties of molecules , 1990 .
[35] J. Ladik,et al. Quantum theory of polymers as solids , 1988 .
[36] W. Lipscomb,et al. Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH Molecule , 1963 .