Molecular Hartree-Fock equations for iteration-variation calculations in momentum space

Summary Molecular Hartree-Fock equations for iteration-variation calculations in momentum space based on trial functions expressed as linear combinations of spherical Gaussian functions are obtained. They are applied to the hydrogen molecule to test their validity. The significant improvements broug...
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Autor*in:	Fischer, Patrick [verfasserIn] Defranceschi, Mireille Delhalle, Joseph

Format:	Artikel
Sprache:	Englisch

Erschienen:	1992

Systematik:	SA 7310

Anmerkung:	© Springer-Verlag 1992

Übergeordnetes Werk:	Enthalten in: Numerische Mathematik - Springer-Verlag, 1959, 63(1992), 1 vom: Dez., Seite 67-82
Übergeordnetes Werk:	volume:63 ; year:1992 ; number:1 ; month:12 ; pages:67-82

Links:	Volltext

DOI / URN:	10.1007/BF01385848

Katalog-ID:	OLC2039984658

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allfields	10.1007/BF01385848 doi (DE-627)OLC2039984658 (DE-He213)BF01385848-p DE-627 ger DE-627 rakwb eng 510 VZ 17,1 ssgn SA 7310 VZ rvk Fischer, Patrick verfasserin aut Molecular Hartree-Fock equations for iteration-variation calculations in momentum space 1992 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer-Verlag 1992 Summary Molecular Hartree-Fock equations for iteration-variation calculations in momentum space based on trial functions expressed as linear combinations of spherical Gaussian functions are obtained. They are applied to the hydrogen molecule to test their validity. The significant improvements brought by a first iteration are accessed through an asymptotic analysis. Defranceschi, Mireille aut Delhalle, Joseph aut Enthalten in Numerische Mathematik Springer-Verlag, 1959 63(1992), 1 vom: Dez., Seite 67-82 (DE-627)129081469 (DE-600)3460-5 (DE-576)014414333 0029-599X nnns volume:63 year:1992 number:1 month:12 pages:67-82 https://doi.org/10.1007/BF01385848 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-MAT SSG-OPC-MAT GBV_ILN_11 GBV_ILN_20 GBV_ILN_21 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_30 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_70 GBV_ILN_95 GBV_ILN_105 GBV_ILN_136 GBV_ILN_147 GBV_ILN_170 GBV_ILN_2002 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2010 GBV_ILN_2012 GBV_ILN_2014 GBV_ILN_2016 GBV_ILN_2018 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2027 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2088 GBV_ILN_2409 GBV_ILN_4012 GBV_ILN_4036 GBV_ILN_4046 GBV_ILN_4082 GBV_ILN_4103 GBV_ILN_4126 GBV_ILN_4305 GBV_ILN_4307 GBV_ILN_4310 GBV_ILN_4311 GBV_ILN_4313 GBV_ILN_4314 GBV_ILN_4315 GBV_ILN_4318 GBV_ILN_4319 GBV_ILN_4323 GBV_ILN_4325 GBV_ILN_4700 SA 7310 AR 63 1992 1 12 67-82
spelling	10.1007/BF01385848 doi (DE-627)OLC2039984658 (DE-He213)BF01385848-p DE-627 ger DE-627 rakwb eng 510 VZ 17,1 ssgn SA 7310 VZ rvk Fischer, Patrick verfasserin aut Molecular Hartree-Fock equations for iteration-variation calculations in momentum space 1992 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer-Verlag 1992 Summary Molecular Hartree-Fock equations for iteration-variation calculations in momentum space based on trial functions expressed as linear combinations of spherical Gaussian functions are obtained. They are applied to the hydrogen molecule to test their validity. The significant improvements brought by a first iteration are accessed through an asymptotic analysis. Defranceschi, Mireille aut Delhalle, Joseph aut Enthalten in Numerische Mathematik Springer-Verlag, 1959 63(1992), 1 vom: Dez., Seite 67-82 (DE-627)129081469 (DE-600)3460-5 (DE-576)014414333 0029-599X nnns volume:63 year:1992 number:1 month:12 pages:67-82 https://doi.org/10.1007/BF01385848 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-MAT SSG-OPC-MAT GBV_ILN_11 GBV_ILN_20 GBV_ILN_21 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_30 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_70 GBV_ILN_95 GBV_ILN_105 GBV_ILN_136 GBV_ILN_147 GBV_ILN_170 GBV_ILN_2002 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2010 GBV_ILN_2012 GBV_ILN_2014 GBV_ILN_2016 GBV_ILN_2018 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2027 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2088 GBV_ILN_2409 GBV_ILN_4012 GBV_ILN_4036 GBV_ILN_4046 GBV_ILN_4082 GBV_ILN_4103 GBV_ILN_4126 GBV_ILN_4305 GBV_ILN_4307 GBV_ILN_4310 GBV_ILN_4311 GBV_ILN_4313 GBV_ILN_4314 GBV_ILN_4315 GBV_ILN_4318 GBV_ILN_4319 GBV_ILN_4323 GBV_ILN_4325 GBV_ILN_4700 SA 7310 AR 63 1992 1 12 67-82
allfields_unstemmed	10.1007/BF01385848 doi (DE-627)OLC2039984658 (DE-He213)BF01385848-p DE-627 ger DE-627 rakwb eng 510 VZ 17,1 ssgn SA 7310 VZ rvk Fischer, Patrick verfasserin aut Molecular Hartree-Fock equations for iteration-variation calculations in momentum space 1992 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer-Verlag 1992 Summary Molecular Hartree-Fock equations for iteration-variation calculations in momentum space based on trial functions expressed as linear combinations of spherical Gaussian functions are obtained. They are applied to the hydrogen molecule to test their validity. The significant improvements brought by a first iteration are accessed through an asymptotic analysis. Defranceschi, Mireille aut Delhalle, Joseph aut Enthalten in Numerische Mathematik Springer-Verlag, 1959 63(1992), 1 vom: Dez., Seite 67-82 (DE-627)129081469 (DE-600)3460-5 (DE-576)014414333 0029-599X nnns volume:63 year:1992 number:1 month:12 pages:67-82 https://doi.org/10.1007/BF01385848 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-MAT SSG-OPC-MAT GBV_ILN_11 GBV_ILN_20 GBV_ILN_21 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_30 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_70 GBV_ILN_95 GBV_ILN_105 GBV_ILN_136 GBV_ILN_147 GBV_ILN_170 GBV_ILN_2002 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2010 GBV_ILN_2012 GBV_ILN_2014 GBV_ILN_2016 GBV_ILN_2018 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2027 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2088 GBV_ILN_2409 GBV_ILN_4012 GBV_ILN_4036 GBV_ILN_4046 GBV_ILN_4082 GBV_ILN_4103 GBV_ILN_4126 GBV_ILN_4305 GBV_ILN_4307 GBV_ILN_4310 GBV_ILN_4311 GBV_ILN_4313 GBV_ILN_4314 GBV_ILN_4315 GBV_ILN_4318 GBV_ILN_4319 GBV_ILN_4323 GBV_ILN_4325 GBV_ILN_4700 SA 7310 AR 63 1992 1 12 67-82
allfieldsGer	10.1007/BF01385848 doi (DE-627)OLC2039984658 (DE-He213)BF01385848-p DE-627 ger DE-627 rakwb eng 510 VZ 17,1 ssgn SA 7310 VZ rvk Fischer, Patrick verfasserin aut Molecular Hartree-Fock equations for iteration-variation calculations in momentum space 1992 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer-Verlag 1992 Summary Molecular Hartree-Fock equations for iteration-variation calculations in momentum space based on trial functions expressed as linear combinations of spherical Gaussian functions are obtained. They are applied to the hydrogen molecule to test their validity. The significant improvements brought by a first iteration are accessed through an asymptotic analysis. Defranceschi, Mireille aut Delhalle, Joseph aut Enthalten in Numerische Mathematik Springer-Verlag, 1959 63(1992), 1 vom: Dez., Seite 67-82 (DE-627)129081469 (DE-600)3460-5 (DE-576)014414333 0029-599X nnns volume:63 year:1992 number:1 month:12 pages:67-82 https://doi.org/10.1007/BF01385848 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-MAT SSG-OPC-MAT GBV_ILN_11 GBV_ILN_20 GBV_ILN_21 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_30 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_70 GBV_ILN_95 GBV_ILN_105 GBV_ILN_136 GBV_ILN_147 GBV_ILN_170 GBV_ILN_2002 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2010 GBV_ILN_2012 GBV_ILN_2014 GBV_ILN_2016 GBV_ILN_2018 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2027 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2088 GBV_ILN_2409 GBV_ILN_4012 GBV_ILN_4036 GBV_ILN_4046 GBV_ILN_4082 GBV_ILN_4103 GBV_ILN_4126 GBV_ILN_4305 GBV_ILN_4307 GBV_ILN_4310 GBV_ILN_4311 GBV_ILN_4313 GBV_ILN_4314 GBV_ILN_4315 GBV_ILN_4318 GBV_ILN_4319 GBV_ILN_4323 GBV_ILN_4325 GBV_ILN_4700 SA 7310 AR 63 1992 1 12 67-82
allfieldsSound	10.1007/BF01385848 doi (DE-627)OLC2039984658 (DE-He213)BF01385848-p DE-627 ger DE-627 rakwb eng 510 VZ 17,1 ssgn SA 7310 VZ rvk Fischer, Patrick verfasserin aut Molecular Hartree-Fock equations for iteration-variation calculations in momentum space 1992 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer-Verlag 1992 Summary Molecular Hartree-Fock equations for iteration-variation calculations in momentum space based on trial functions expressed as linear combinations of spherical Gaussian functions are obtained. They are applied to the hydrogen molecule to test their validity. The significant improvements brought by a first iteration are accessed through an asymptotic analysis. Defranceschi, Mireille aut Delhalle, Joseph aut Enthalten in Numerische Mathematik Springer-Verlag, 1959 63(1992), 1 vom: Dez., Seite 67-82 (DE-627)129081469 (DE-600)3460-5 (DE-576)014414333 0029-599X nnns volume:63 year:1992 number:1 month:12 pages:67-82 https://doi.org/10.1007/BF01385848 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-MAT SSG-OPC-MAT GBV_ILN_11 GBV_ILN_20 GBV_ILN_21 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_30 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_70 GBV_ILN_95 GBV_ILN_105 GBV_ILN_136 GBV_ILN_147 GBV_ILN_170 GBV_ILN_2002 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2010 GBV_ILN_2012 GBV_ILN_2014 GBV_ILN_2016 GBV_ILN_2018 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2027 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2088 GBV_ILN_2409 GBV_ILN_4012 GBV_ILN_4036 GBV_ILN_4046 GBV_ILN_4082 GBV_ILN_4103 GBV_ILN_4126 GBV_ILN_4305 GBV_ILN_4307 GBV_ILN_4310 GBV_ILN_4311 GBV_ILN_4313 GBV_ILN_4314 GBV_ILN_4315 GBV_ILN_4318 GBV_ILN_4319 GBV_ILN_4323 GBV_ILN_4325 GBV_ILN_4700 SA 7310 AR 63 1992 1 12 67-82
language	English
source	Enthalten in Numerische Mathematik 63(1992), 1 vom: Dez., Seite 67-82 volume:63 year:1992 number:1 month:12 pages:67-82
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authorswithroles_txt_mv	Fischer, Patrick @@aut@@ Defranceschi, Mireille @@aut@@ Delhalle, Joseph @@aut@@
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author	Fischer, Patrick
spellingShingle	Fischer, Patrick ddc 510 ssgn 17,1 rvk SA 7310 Molecular Hartree-Fock equations for iteration-variation calculations in momentum space
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topic_title	510 VZ 17,1 ssgn SA 7310 VZ rvk Molecular Hartree-Fock equations for iteration-variation calculations in momentum space
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title	Molecular Hartree-Fock equations for iteration-variation calculations in momentum space
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title_full	Molecular Hartree-Fock equations for iteration-variation calculations in momentum space
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journal	Numerische Mathematik
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author_browse	Fischer, Patrick Defranceschi, Mireille Delhalle, Joseph
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title_sort	molecular hartree-fock equations for iteration-variation calculations in momentum space
title_auth	Molecular Hartree-Fock equations for iteration-variation calculations in momentum space
abstract	Summary Molecular Hartree-Fock equations for iteration-variation calculations in momentum space based on trial functions expressed as linear combinations of spherical Gaussian functions are obtained. They are applied to the hydrogen molecule to test their validity. The significant improvements brought by a first iteration are accessed through an asymptotic analysis. © Springer-Verlag 1992
abstractGer	Summary Molecular Hartree-Fock equations for iteration-variation calculations in momentum space based on trial functions expressed as linear combinations of spherical Gaussian functions are obtained. They are applied to the hydrogen molecule to test their validity. The significant improvements brought by a first iteration are accessed through an asymptotic analysis. © Springer-Verlag 1992
abstract_unstemmed	Summary Molecular Hartree-Fock equations for iteration-variation calculations in momentum space based on trial functions expressed as linear combinations of spherical Gaussian functions are obtained. They are applied to the hydrogen molecule to test their validity. The significant improvements brought by a first iteration are accessed through an asymptotic analysis. © Springer-Verlag 1992
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title_short	Molecular Hartree-Fock equations for iteration-variation calculations in momentum space
url	https://doi.org/10.1007/BF01385848
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