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

Unit of theoretical and structural physico-chemistry

Research output: Contribution in Book/Catalog/Report/Conference proceeding › Conference contribution

5 Downloads (Pure)

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.

Original language	English
Title of host publication	AIP Conference Proceedings
Pages	522-543
Number of pages	22
Volume	1504
DOIs	https://doi.org/10.1063/1.4771754
Publication status	Published - 1 Dec 2012
Event	International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009 - Rhodes, Greece Duration: 29 Sept 2009 → 4 Oct 2009

Conference

Conference	International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009
Country/Territory	Greece
City	Rhodes
Period	29/09/09 → 4/10/09

Keywords

electromagnetic fields
extended systems
response functions

Access to Document

10.1063/1.4771754

Cite this

@inproceedings{073d72a098aa4a6abb48484c07fe6ca8,

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",

isbn = "9780735411227",

volume = "1504",

pages = "522--543",

booktitle = "AIP Conference Proceedings",

note = "International Conference of Computational Methods in Sciences and Engineering 2009, ICCMSE 2009 ; Conference date: 29-09-2009 Through 04-10-2009",

}

TY - GEN

T1 - L'Oeuvre of Bernie Kirtman

AU - Champagne, Benoit

AU - Gu, Feng Long

AU - Luis, Josep M.

AU - Springborg, Michael

PY - 2012/12/1

Y1 - 2012/12/1

N2 - 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.

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

UR - http://www.scopus.com/inward/record.url?scp=84873150114&partnerID=8YFLogxK

U2 - 10.1063/1.4771754

DO - 10.1063/1.4771754

M3 - Conference contribution

AN - SCOPUS:84873150114

SN - 9780735411227

VL - 1504

SP - 522

EP - 543

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

Abstract

Conference

Keywords

Access to Document

Other files and links

Embargoed Document

Fingerprint

High Performance Computing Technology Platform

Cite this

L'Oeuvre of Bernie Kirtman

Abstract

Conference

Keywords

Access to Document

Other files and links

Embargoed Document

Fingerprint

Equipment

High Performance Computing Technology Platform

Cite this