Electronic responses of long chains to electrostatic fields: Hartree-Fock vs. density-functional theory: a model study.

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Electronic responses of long chains to electrostatic fields: Hartree-Fock vs. density-functional theory: a model study.

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2014 nî lūn-bûn

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2014年の論文

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2014年学术文章

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Electronic responses of long c ...... ctional theory: a model study.

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Electronic responses of long c ...... ctional theory: a model study.

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Electronic responses of long c ...... ctional theory: a model study.

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Electronic responses of long c ...... ctional theory: a model study.

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Electronic responses of long c ...... ctional theory: a model study.

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Electronic responses of long c ...... ctional theory: a model study.

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P1476

Electronic responses of long c ...... ctional theory: a model study.

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P2093

Bernard Kirtman

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Jorge Vargas

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Michael Springborg

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P2860

Macroscopic polarization in crystalline dielectrics: the geometric phase approach

A long-range-corrected time-dependent density functional theory.

Excitation energies of pi-conjugated oligomers within time-dependent current-density-functional theory.

Electric field polarization in conventional density functional theory: from quasilinear to two-dimensional and three-dimensional extended systems.

Calculation of electric dipole (hyper)polarizabilities by long-range-correction scheme in density functional theory: a systematic assessment for polydiacetylene and polybutatriene oligomers.

Insights into current limitations of density functional theory.

Nonlinear optical property calculations of polyynes with long-range corrected hybrid exchange-correlation functionals.

Quantization of the dipole moment and of the end charges in push-pull polymers.

Dielectric response of periodic systems from quantum Monte Carlo calculations.

Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn-Sham method.

P304

054117

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P31

scholarly article

P356

10.1063/1.4864038

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P407

English

P433

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P478

140

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P577

2014-02-01T00:00:00Z

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P698

24511932

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