Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper) polarizabilities of Push-Pull Conjugated Systems

B. Champagne; E. A Perpete; D Jacquemin; S.J.A. van Gisbergen; E.J. Baerends; C. Soubra-Ghaoui; K.A. Robins; B. Kirtman

doi:10.1021/jp993839d

Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper) polarizabilities of Push-Pull Conjugated Systems

B. Champagne
, E. A Perpete
, D Jacquemin
, S.J.A. van Gisbergen
, E.J. Baerends
, C. Soubra-Ghaoui
, K.A. Robins
, B. Kirtman

Research output: Contribution to Journal › Article › Academic › peer-review

Original language	English
Pages (from-to)	4763-4655
Number of pages	108
Journal	Journal of Physical Chemistry A
Volume	104
DOIs	https://doi.org/10.1021/jp993839d
Publication status	Published - 2000

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10.1021/jp993839d

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Champagne, B., Perpete, E. A., Jacquemin, D., van Gisbergen, S. J. A., Baerends, E. J., Soubra-Ghaoui, C., Robins, K. A., & Kirtman, B. (2000). Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper) polarizabilities of Push-Pull Conjugated Systems. Journal of Physical Chemistry A, 104, 4763-4655. https://doi.org/10.1021/jp993839d

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author = "B. Champagne and Perpete, \{E. A\} and D Jacquemin and \{van Gisbergen\}, S.J.A. and E.J. Baerends and C. Soubra-Ghaoui and K.A. Robins and B. Kirtman",

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T1 - Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper) polarizabilities of Push-Pull Conjugated Systems

AU - Champagne, B.

AU - Perpete, E. A

AU - Jacquemin, D

AU - van Gisbergen, S.J.A.

AU - Baerends, E.J.

AU - Soubra-Ghaoui, C.

AU - Robins, K.A.

AU - Kirtman, B.

PY - 2000

Y1 - 2000

U2 - 10.1021/jp993839d

DO - 10.1021/jp993839d

M3 - Article

SN - 1089-5639

VL - 104

SP - 4763

EP - 4655

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

ER -