A Gauge-origin independent expression for the Verdet constant within the time-dependent density functional theory

Arup Banerjee; Jochen Autschbach; Tom Ziegler

doi:10.1002/qua.20313

A Gauge-origin independent expression for the Verdet constant within the time-dependent density functional theory

Arup Banerjee
, Jochen Autschbach
, Tom Ziegler

Chemistry

University of Calgary
Raja Ramanna Centre for Advanced Technology

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

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.

Original language	English
Pages (from-to)	572-578
Number of pages	7
Journal	International Journal of Quantum Chemistry
Volume	101
Issue number	5
DOIs	https://doi.org/10.1002/qua.20313
State	Published - Feb 15 2005

Keywords

Magneto-optical rotation
Response theory
Time-dependent density functional theory
Verdet constant

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10.1002/qua.20313

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title = "A Gauge-origin independent expression for the Verdet constant within the time-dependent density functional theory",

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.",

keywords = "Magneto-optical rotation, Response theory, Time-dependent density functional theory, Verdet constant",

author = "Arup Banerjee and Jochen Autschbach and Tom Ziegler",

year = "2005",

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doi = "10.1002/qua.20313",

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T1 - A Gauge-origin independent expression for the Verdet constant within the time-dependent density functional theory

AU - Banerjee, Arup

AU - Autschbach, Jochen

AU - Ziegler, Tom

PY - 2005/2/15

Y1 - 2005/2/15

N2 - 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.

AB - 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.

KW - Magneto-optical rotation

KW - Response theory

KW - Time-dependent density functional theory

KW - Verdet constant

UR - https://www.scopus.com/pages/publications/13844254469

U2 - 10.1002/qua.20313

DO - 10.1002/qua.20313

M3 - Article

AN - SCOPUS:13844254469

SN - 0020-7608

VL - 101

SP - 572

EP - 578

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

IS - 5

ER -

A Gauge-origin independent expression for the Verdet constant within the time-dependent density functional theory

Abstract

Keywords

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