Conditions for invariance of molecular magnetic properties in Landau gauge transformations

Mostrar todas las versiones(3)

General constraints for invariance of magnetic properties in a gauge transformation are analyzed. Sum rules relative to the transformation from Coulomb to Landau gauges are examined in particular. Numerical tests for hydrogen fluoride, water, ammonia, and methane molecule have been carried out in la...

Descripción completa

Detalles Bibliográficos
Autores principales: Lazzeretti, P., Malagoli, M., Zanasi, R., Caputo, M.C., Ferraro, M.B.
Formato: Artículo publishedVersion
Publicado: 1995
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v103_n5_p1852_Lazzeretti
https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v103_n5_p1852_Lazzeretti_oai
Aporte de:
Repositorio Digital de la Universidad de Buenos Aires (UBA) de Universidad de Buenos Aires
id I28-R145-paper_00219606_v103_n5_p1852_Lazzeretti_oai
record_format dspace
spelling I28-R145-paper_00219606_v103_n5_p1852_Lazzeretti_oai2024-08-16 Lazzeretti, P. Malagoli, M. Zanasi, R. Caputo, M.C. Ferraro, M.B. 1995 General constraints for invariance of magnetic properties in a gauge transformation are analyzed. Sum rules relative to the transformation from Coulomb to Landau gauges are examined in particular. Numerical tests for hydrogen fluoride, water, ammonia, and methane molecule have been carried out in large basis set calculations, using random-phase approximation. The conditions for invariance are severe conditions for accuracy of variational molecular wave functions. © 1995 American Institute of Physics. Fil:Caputo, M.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. application/pdf http://hdl.handle.net/20.500.12110/paper_00219606_v103_n5_p1852_Lazzeretti info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar The Journal of Chemical Physics 1995;103(5):1852-1859 Conditions for invariance of molecular magnetic properties in Landau gauge transformations info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v103_n5_p1852_Lazzeretti_oai
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-145
collection Repositorio Digital de la Universidad de Buenos Aires (UBA)
description General constraints for invariance of magnetic properties in a gauge transformation are analyzed. Sum rules relative to the transformation from Coulomb to Landau gauges are examined in particular. Numerical tests for hydrogen fluoride, water, ammonia, and methane molecule have been carried out in large basis set calculations, using random-phase approximation. The conditions for invariance are severe conditions for accuracy of variational molecular wave functions. © 1995 American Institute of Physics.
format Artículo
Artículo
publishedVersion
author Lazzeretti, P.
Malagoli, M.
Zanasi, R.
Caputo, M.C.
Ferraro, M.B.
spellingShingle Lazzeretti, P.
Malagoli, M.
Zanasi, R.
Caputo, M.C.
Ferraro, M.B.
Conditions for invariance of molecular magnetic properties in Landau gauge transformations
author_facet Lazzeretti, P.
Malagoli, M.
Zanasi, R.
Caputo, M.C.
Ferraro, M.B.
author_sort Lazzeretti, P.
title Conditions for invariance of molecular magnetic properties in Landau gauge transformations
title_short Conditions for invariance of molecular magnetic properties in Landau gauge transformations
title_full Conditions for invariance of molecular magnetic properties in Landau gauge transformations
title_fullStr Conditions for invariance of molecular magnetic properties in Landau gauge transformations
title_full_unstemmed Conditions for invariance of molecular magnetic properties in Landau gauge transformations
title_sort conditions for invariance of molecular magnetic properties in landau gauge transformations
publishDate 1995
url http://hdl.handle.net/20.500.12110/paper_00219606_v103_n5_p1852_Lazzeretti
https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v103_n5_p1852_Lazzeretti_oai
work_keys_str_mv AT lazzerettip conditionsforinvarianceofmolecularmagneticpropertiesinlandaugaugetransformations
AT malagolim conditionsforinvarianceofmolecularmagneticpropertiesinlandaugaugetransformations
AT zanasir conditionsforinvarianceofmolecularmagneticpropertiesinlandaugaugetransformations
AT caputomc conditionsforinvarianceofmolecularmagneticpropertiesinlandaugaugetransformations
AT ferraromb conditionsforinvarianceofmolecularmagneticpropertiesinlandaugaugetransformations
_version_ 1809357064481275904

Ejemplares similares