A gauge‐origin independent expression for the Verdet constant within the time‐dependent density functional theory
Identifieur interne : 002A91 ( Main/Exploration ); précédent : 002A90; suivant : 002A92A gauge‐origin independent expression for the Verdet constant within the time‐dependent density functional theory
Auteurs : Arup Banerjee [Canada, Inde] ; Jochen Autschbach ; Tom Ziegler [Canada]Source :
- International Journal of Quantum Chemistry [ 0020-7608 ] ; 2005.
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Abstract
The analytical expression for the Verdet constant of magneto‐optical rotation is presented within the time‐dependent density functional theory formalism. Use has been made of gauge, including atomic orbitals, to circumvent the problem of gauge dependence often associated with the calculation of magnetic properties. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
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DOI: 10.1002/qua.20313
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Quantum Chem.</title><idno type="ISSN">0020-7608</idno><idno type="eISSN">1097-461X</idno><imprint><publisher>Wiley Subscription Services, Inc., A Wiley Company</publisher><pubPlace>Hoboken</pubPlace><date type="published" when="2005">2005</date><biblScope unit="volume">101</biblScope><biblScope unit="issue">5</biblScope><biblScope unit="page" from="572">572</biblScope><biblScope unit="page" to="578">578</biblScope></imprint><idno type="ISSN">0020-7608</idno></series><idno type="istex">CA375F70D20F3928367B202EFEB2539BC6321B21</idno><idno type="DOI">10.1002/qua.20313</idno><idno type="ArticleID">QUA20313</idno></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0020-7608</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Verdet constant</term><term>magneto‐optical rotation</term><term>response theory</term><term>time‐dependent density functional theory</term></keywords></textClass><langUsage><language ident="en">en</language></langUsage></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The analytical expression for the Verdet constant of magneto‐optical rotation is presented within the time‐dependent density functional theory formalism. Use has been made of gauge, including atomic orbitals, to circumvent the problem of gauge dependence often associated with the calculation of magnetic properties. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005</div></front></TEI><affiliations><list><country><li>Canada</li><li>Inde</li></country><region><li>Alberta</li></region><settlement><li>Calgary</li></settlement><orgName><li>Université de Calgary</li></orgName></list><tree><noCountry><name sortKey="Autschbach, Jochen" sort="Autschbach, Jochen" uniqKey="Autschbach J" first="Jochen" last="Autschbach">Jochen Autschbach</name></noCountry><country name="Canada"><region name="Alberta"><name sortKey="Banerjee, Arup" sort="Banerjee, Arup" uniqKey="Banerjee A" first="Arup" last="Banerjee">Arup Banerjee</name></region><name sortKey="Ziegler, Tom" sort="Ziegler, Tom" uniqKey="Ziegler T" first="Tom" last="Ziegler">Tom Ziegler</name></country><country name="Inde"><noRegion><name sortKey="Banerjee, Arup" sort="Banerjee, Arup" uniqKey="Banerjee A" first="Arup" last="Banerjee">Arup Banerjee</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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