L'Oeuvre of Bernie Kirtman

Benoit Champagne; Feng Long Gu; Josep M. Luis; Michael Springborg

doi:10.1063/1.4771754

L'Oeuvre of Bernie Kirtman

Benoit Champagne, Feng Long Gu, Josep M. Luis, Michael Springborg

Unite de recherche en chimie physique, theorique et structurale

Résultats de recherche: Contribution dans un livre/un catalogue/un rapport/dans les actes d'une conférence › Article dans les actes d'une conférence/un colloque

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Résumé

Some of the contributions of Bernie Kirtman to the field of quantum chemistry are briefly reviewed. In particular, Bernie Kirtman's contributions to the calculation of linear and non-linear responses of conjugated systems to electromagnetic fields are discussed. This includes the question whether such systems at best are treated as being long but finite or as infinite and periodic. The role of the coupling of the electronic responses to structural / vibrational responses is emphasized.

langue originale	Anglais
titre	AIP Conference Proceedings
Pages	522-543
Nombre de pages	22
Volume	1504
Les DOIs	https://doi.org/10.1063/1.4771754
Etat de la publication	Publié - 1 déc. 2012
Evénement	International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009 - Rhodes, Grèce Durée: 29 sept. 2009 → 4 oct. 2009

Une conférence

Une conférence	International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009
Pays/Territoire	Grèce
La ville	Rhodes
période	29/09/09 → 4/10/09

Accès au document

10.1063/1.4771754

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Link to publication in Scopus

Document sous embargo

AIP_Conf._Proc._1504_522_545_2012_
Version finale publiée, 1,66 MB

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title = "L'Oeuvre of Bernie Kirtman",

abstract = "Some of the contributions of Bernie Kirtman to the field of quantum chemistry are briefly reviewed. In particular, Bernie Kirtman's contributions to the calculation of linear and non-linear responses of conjugated systems to electromagnetic fields are discussed. This includes the question whether such systems at best are treated as being long but finite or as infinite and periodic. The role of the coupling of the electronic responses to structural / vibrational responses is emphasized.",

keywords = "electromagnetic fields, extended systems, response functions",

author = "Benoit Champagne and Gu, {Feng Long} and Luis, {Josep M.} and Michael Springborg",

year = "2012",

month = dec,

day = "1",

doi = "10.1063/1.4771754",

language = "English",

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AU - Luis, Josep M.

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AB - Some of the contributions of Bernie Kirtman to the field of quantum chemistry are briefly reviewed. In particular, Bernie Kirtman's contributions to the calculation of linear and non-linear responses of conjugated systems to electromagnetic fields are discussed. This includes the question whether such systems at best are treated as being long but finite or as infinite and periodic. The role of the coupling of the electronic responses to structural / vibrational responses is emphasized.

KW - electromagnetic fields

KW - extended systems

KW - response functions

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U2 - 10.1063/1.4771754

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M3 - Conference contribution

AN - SCOPUS:84873150114

SN - 9780735411227

VL - 1504

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BT - AIP Conference Proceedings

T2 - International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009

Y2 - 29 September 2009 through 4 October 2009

ER -

L'Oeuvre of Bernie Kirtman

Résumé

Une conférence

Accès au document

Autres fichiers et liens

Document sous embargo

Empreinte digitale

Équipement

Plateforme Technologique Calcul Intensif

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