Effective Floquet Hamiltonian for spin I = 1 in magic angle spinning NMR using contact transformation.
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| Title: | Effective Floquet Hamiltonian for spin I = 1 in magic angle spinning NMR using contact transformation. |
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| Authors: | Pandey, Manoj Kumar1, Krishnan, Mangala Sunder1 mangal@iitm.ac.in |
| Source: | Journal of Chemical Sciences. Sep2007, Vol. 119 Issue 5, p417-422. 6p. 4 Charts. |
| Subjects: | Contact transformations, Perturbation theory, Molecular spectroscopy, Floquet theory, Eigenvalues |
| Abstract: | Contact transformation is an operator transformation method in time-independent perturbation theory which is used successfully in molecular spectroscopy to obtain an effective Hamiltonian. Floquet theory is used to transform the periodic time-dependent Hamiltonian, to a time-independent Floquet Hamiltonian. In this article contact transformation method has been used to get the analytical representation of Floquet Hamiltonian for quadrupolar nuclei with spin I = 1 in the presence of an RF field and first order quadrupolar interaction in magic angle spinning NMR experiments. The eigenvalues of contact transformed Hamiltonian as well as Floquet Hamiltonian have been calculated and a comparison is made between the eigenvalues obtained using the two Hamiltonians. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of Chemical Sciences is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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| Items | – Name: Title Label: Title Group: Ti Data: Effective Floquet Hamiltonian for spin I = 1 in magic angle spinning NMR using contact transformation. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Pandey%2C+Manoj+Kumar%22">Pandey, Manoj Kumar</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Krishnan%2C+Mangala+Sunder%22">Krishnan, Mangala Sunder</searchLink><relatesTo>1</relatesTo><i> mangal@iitm.ac.in</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Chemical+Sciences%22">Journal of Chemical Sciences</searchLink>. Sep2007, Vol. 119 Issue 5, p417-422. 6p. 4 Charts. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Contact+transformations%22">Contact transformations</searchLink><br /><searchLink fieldCode="DE" term="%22Perturbation+theory%22">Perturbation theory</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+spectroscopy%22">Molecular spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Floquet+theory%22">Floquet theory</searchLink><br /><searchLink fieldCode="DE" term="%22Eigenvalues%22">Eigenvalues</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Contact transformation is an operator transformation method in time-independent perturbation theory which is used successfully in molecular spectroscopy to obtain an effective Hamiltonian. Floquet theory is used to transform the periodic time-dependent Hamiltonian, to a time-independent Floquet Hamiltonian. In this article contact transformation method has been used to get the analytical representation of Floquet Hamiltonian for quadrupolar nuclei with spin I = 1 in the presence of an RF field and first order quadrupolar interaction in magic angle spinning NMR experiments. The eigenvalues of contact transformed Hamiltonian as well as Floquet Hamiltonian have been calculated and a comparison is made between the eigenvalues obtained using the two Hamiltonians. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Chemical Sciences is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1007/s12039-007-0054-0 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 6 StartPage: 417 Subjects: – SubjectFull: Contact transformations Type: general – SubjectFull: Perturbation theory Type: general – SubjectFull: Molecular spectroscopy Type: general – SubjectFull: Floquet theory Type: general – SubjectFull: Eigenvalues Type: general Titles: – TitleFull: Effective Floquet Hamiltonian for spin I = 1 in magic angle spinning NMR using contact transformation. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Pandey, Manoj Kumar – PersonEntity: Name: NameFull: Krishnan, Mangala Sunder IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 09 Text: Sep2007 Type: published Y: 2007 Identifiers: – Type: issn-print Value: 09743626 Numbering: – Type: volume Value: 119 – Type: issue Value: 5 Titles: – TitleFull: Journal of Chemical Sciences Type: main |
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