Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons

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Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies : Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons. / Falden, Heidi H.; Falster-Hansen, Kasper R.; Bak, Keld L.; Rettrup, Sten; Sauer, Stephan P. A.

I: The Journal of Physical Chemistry Letters, Bind 113, Nr. 43, 29.10.2009, s. 11995-12012.

Publikation: Bidrag til tidsskrift/Konferencebidrag i tidsskrift /Bidrag til avisReviewForskningpeer review

Harvard

Falden, HH, Falster-Hansen, KR, Bak, KL, Rettrup, S & Sauer, SPA 2009, 'Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons', The Journal of Physical Chemistry Letters, bind 113, nr. 43, s. 11995-12012. https://doi.org/10.1021/jp9037123

APA

Falden, H. H., Falster-Hansen, K. R., Bak, K. L., Rettrup, S., & Sauer, S. P. A. (2009). Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons. The Journal of Physical Chemistry Letters, 113(43), 11995-12012. https://doi.org/10.1021/jp9037123

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MLA

Vancouver

Author

Falden, Heidi H. ; Falster-Hansen, Kasper R. ; Bak, Keld L. ; Rettrup, Sten ; Sauer, Stephan P. A. / Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies : Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons. I: The Journal of Physical Chemistry Letters. 2009 ; Bind 113, Nr. 43. s. 11995-12012.

Bibtex

@article{3225b90bf71047ab92453e02cca5f92a,
title = "Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons",
keywords = "EQUATION-OF-MOTION, COUPLED-CLUSTER METHODS, FULL CONFIGURATION-INTERACTION, POLARIZATION PROPAGATOR APPROXIMATION, SINGLET EXCITED-STATES, THE-IDENTITY APPROXIMATION, LINEAR-RESPONSE THEORY, SELF-CONSISTENT-FIELD, AB-INITIO CALCULATION, ROTATIONAL G-FACTOR",
author = "Falden, {Heidi H.} and Falster-Hansen, {Kasper R.} and Bak, {Keld L.} and Sten Rettrup and Sauer, {Stephan P. A.}",
year = "2009",
month = "10",
day = "29",
doi = "10.1021/jp9037123",
language = "English",
volume = "113",
pages = "11995--12012",
journal = "The Journal of Physical Chemistry Letters",
issn = "1948-7185",
publisher = "American Chemical Society",
number = "43",

}

RIS

TY - JOUR

T1 - Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies

T2 - Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons

AU - Falden, Heidi H.

AU - Falster-Hansen, Kasper R.

AU - Bak, Keld L.

AU - Rettrup, Sten

AU - Sauer, Stephan P. A.

PY - 2009/10/29

Y1 - 2009/10/29

KW - EQUATION-OF-MOTION

KW - COUPLED-CLUSTER METHODS

KW - FULL CONFIGURATION-INTERACTION

KW - POLARIZATION PROPAGATOR APPROXIMATION

KW - SINGLET EXCITED-STATES

KW - THE-IDENTITY APPROXIMATION

KW - LINEAR-RESPONSE THEORY

KW - SELF-CONSISTENT-FIELD

KW - AB-INITIO CALCULATION

KW - ROTATIONAL G-FACTOR

U2 - 10.1021/jp9037123

DO - 10.1021/jp9037123

M3 - Review

VL - 113

SP - 11995

EP - 12012

JO - The Journal of Physical Chemistry Letters

JF - The Journal of Physical Chemistry Letters

SN - 1948-7185

IS - 43

ER -