Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties

Josep M. Luis; Miquel Duran; Bernard Kirtman

doi:10.1063/1.1390525

Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties

Josep M. Luis
, Miquel Duran
, Bernard Kirtman

Institute of Computational Chemistry and Catalysis

University of California

Research output: Contribution to journal › Scientific article › peer-review

48 Citations (Scopus)

Abstract

Three conjugated organic molecules that span a range of polarity and valence-bond/charge transfer characteristics were studied. It was found that dispersion can be insignificant, and that adequate treatment can be achieved with frequency-dependent field-induced vibrational coordinates (FD-FICs).

Original language	English
Pages (from-to)	4473-4483
Number of pages	11
Journal	Journal of Chemical Physics
Volume	115
Issue number	10
DOIs	https://doi.org/10.1063/1.1390525
Publication status	Published - 8 Sept 2001

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title = "Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties",

abstract = "Three conjugated organic molecules that span a range of polarity and valence-bond/charge transfer characteristics were studied. It was found that dispersion can be insignificant, and that adequate treatment can be achieved with frequency-dependent field-induced vibrational coordinates (FD-FICs).",

author = "Luis, \{Josep M.\} and Miquel Duran and Bernard Kirtman",

year = "2001",

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AU - Luis, Josep M.

AU - Duran, Miquel

AU - Kirtman, Bernard

PY - 2001/9/8

Y1 - 2001/9/8

N2 - Three conjugated organic molecules that span a range of polarity and valence-bond/charge transfer characteristics were studied. It was found that dispersion can be insignificant, and that adequate treatment can be achieved with frequency-dependent field-induced vibrational coordinates (FD-FICs).

AB - Three conjugated organic molecules that span a range of polarity and valence-bond/charge transfer characteristics were studied. It was found that dispersion can be insignificant, and that adequate treatment can be achieved with frequency-dependent field-induced vibrational coordinates (FD-FICs).

UR - https://www.scopus.com/pages/publications/0035828317

U2 - 10.1063/1.1390525

DO - 10.1063/1.1390525

M3 - Scientific article

AN - SCOPUS:0035828317

SN - 0021-9606

VL - 115

SP - 4473

EP - 4483

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 10

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Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties

Abstract

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