Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure

Abstract A general MO localization process based on Elementary Jacobi Rotations is described. The procedure is connected with Boys, Ruedenberg and Mezey MO localization algorithms.

Gespeichert in:

Autor*in:	Carbó-Dorca, Ramon [verfasserIn] Bultinck, Patrick [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2007

Schlagwörter:	MO theory MO localization One electron operators MO unitary transformations Elementary Jacobi rotations

Übergeordnetes Werk:	Enthalten in: Journal of mathematical chemistry - Dordrecht [u.a.] : Springer Science + Business Media B.V., 1987, 43(2007), 3 vom: 06. Juli, Seite 1069-1075
Übergeordnetes Werk:	volume:43 ; year:2007 ; number:3 ; day:06 ; month:07 ; pages:1069-1075

Links:	Volltext

DOI / URN:	10.1007/s10910-007-9242-x

Katalog-ID:	SPR014539578

Internformat


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245	1	0	\|a Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure
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520			\|a Abstract A general MO localization process based on Elementary Jacobi Rotations is described. The procedure is connected with Boys, Ruedenberg and Mezey MO localization algorithms.
650		4	\|a MO theory \|7 (dpeaa)DE-He213
650		4	\|a MO localization \|7 (dpeaa)DE-He213
650		4	\|a One electron operators \|7 (dpeaa)DE-He213
650		4	\|a MO unitary transformations \|7 (dpeaa)DE-He213
650		4	\|a Elementary Jacobi rotations \|7 (dpeaa)DE-He213
700	1		\|a Bultinck, Patrick \|e verfasserin \|4 aut
773	0	8	\|i Enthalten in \|t Journal of mathematical chemistry \|d Dordrecht [u.a.] : Springer Science + Business Media B.V., 1987 \|g 43(2007), 3 vom: 06. Juli, Seite 1069-1075 \|w (DE-627)30246879X \|w (DE-600)1491406-2 \|x 1572-8897 \|7 nnns
773	1	8	\|g volume:43 \|g year:2007 \|g number:3 \|g day:06 \|g month:07 \|g pages:1069-1075
856	4	0	\|u https://dx.doi.org/10.1007/s10910-007-9242-x \|z lizenzpflichtig \|3 Volltext
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912			\|a GBV_ILN_2039
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912			\|a GBV_ILN_2050
912			\|a GBV_ILN_2055
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912			\|a GBV_ILN_2061
912			\|a GBV_ILN_2064
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912			\|a GBV_ILN_2129
912			\|a GBV_ILN_2143
912			\|a GBV_ILN_2144
912			\|a GBV_ILN_2147
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912			\|a GBV_ILN_2152
912			\|a GBV_ILN_2153
912			\|a GBV_ILN_2188
912			\|a GBV_ILN_2190
912			\|a GBV_ILN_2232
912			\|a GBV_ILN_2336
912			\|a GBV_ILN_2446
912			\|a GBV_ILN_2470
912			\|a GBV_ILN_2472
912			\|a GBV_ILN_2507
912			\|a GBV_ILN_2522
912			\|a GBV_ILN_2548
912			\|a GBV_ILN_4012
912			\|a GBV_ILN_4035
912			\|a GBV_ILN_4037
912			\|a GBV_ILN_4046
912			\|a GBV_ILN_4112
912			\|a GBV_ILN_4125
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952			\|d 43 \|j 2007 \|e 3 \|b 06 \|c 07 \|h 1069-1075

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allfields	10.1007/s10910-007-9242-x doi (DE-627)SPR014539578 (SPR)s10910-007-9242-x-e DE-627 ger DE-627 rakwb eng 540 510 ASE 35.05 bkl Carbó-Dorca, Ramon verfasserin aut Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure 2007 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract A general MO localization process based on Elementary Jacobi Rotations is described. The procedure is connected with Boys, Ruedenberg and Mezey MO localization algorithms. MO theory (dpeaa)DE-He213 MO localization (dpeaa)DE-He213 One electron operators (dpeaa)DE-He213 MO unitary transformations (dpeaa)DE-He213 Elementary Jacobi rotations (dpeaa)DE-He213 Bultinck, Patrick verfasserin aut Enthalten in Journal of mathematical chemistry Dordrecht [u.a.] : Springer Science + Business Media B.V., 1987 43(2007), 3 vom: 06. Juli, Seite 1069-1075 (DE-627)30246879X (DE-600)1491406-2 1572-8897 nnns volume:43 year:2007 number:3 day:06 month:07 pages:1069-1075 https://dx.doi.org/10.1007/s10910-007-9242-x lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA SSG-OPC-MAT SSG-OPC-ASE GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.05 ASE AR 43 2007 3 06 07 1069-1075
spelling	10.1007/s10910-007-9242-x doi (DE-627)SPR014539578 (SPR)s10910-007-9242-x-e DE-627 ger DE-627 rakwb eng 540 510 ASE 35.05 bkl Carbó-Dorca, Ramon verfasserin aut Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure 2007 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract A general MO localization process based on Elementary Jacobi Rotations is described. The procedure is connected with Boys, Ruedenberg and Mezey MO localization algorithms. MO theory (dpeaa)DE-He213 MO localization (dpeaa)DE-He213 One electron operators (dpeaa)DE-He213 MO unitary transformations (dpeaa)DE-He213 Elementary Jacobi rotations (dpeaa)DE-He213 Bultinck, Patrick verfasserin aut Enthalten in Journal of mathematical chemistry Dordrecht [u.a.] : Springer Science + Business Media B.V., 1987 43(2007), 3 vom: 06. Juli, Seite 1069-1075 (DE-627)30246879X (DE-600)1491406-2 1572-8897 nnns volume:43 year:2007 number:3 day:06 month:07 pages:1069-1075 https://dx.doi.org/10.1007/s10910-007-9242-x lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA SSG-OPC-MAT SSG-OPC-ASE GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.05 ASE AR 43 2007 3 06 07 1069-1075
allfields_unstemmed	10.1007/s10910-007-9242-x doi (DE-627)SPR014539578 (SPR)s10910-007-9242-x-e DE-627 ger DE-627 rakwb eng 540 510 ASE 35.05 bkl Carbó-Dorca, Ramon verfasserin aut Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure 2007 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract A general MO localization process based on Elementary Jacobi Rotations is described. The procedure is connected with Boys, Ruedenberg and Mezey MO localization algorithms. MO theory (dpeaa)DE-He213 MO localization (dpeaa)DE-He213 One electron operators (dpeaa)DE-He213 MO unitary transformations (dpeaa)DE-He213 Elementary Jacobi rotations (dpeaa)DE-He213 Bultinck, Patrick verfasserin aut Enthalten in Journal of mathematical chemistry Dordrecht [u.a.] : Springer Science + Business Media B.V., 1987 43(2007), 3 vom: 06. Juli, Seite 1069-1075 (DE-627)30246879X (DE-600)1491406-2 1572-8897 nnns volume:43 year:2007 number:3 day:06 month:07 pages:1069-1075 https://dx.doi.org/10.1007/s10910-007-9242-x lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA SSG-OPC-MAT SSG-OPC-ASE GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.05 ASE AR 43 2007 3 06 07 1069-1075
allfieldsGer	10.1007/s10910-007-9242-x doi (DE-627)SPR014539578 (SPR)s10910-007-9242-x-e DE-627 ger DE-627 rakwb eng 540 510 ASE 35.05 bkl Carbó-Dorca, Ramon verfasserin aut Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure 2007 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract A general MO localization process based on Elementary Jacobi Rotations is described. The procedure is connected with Boys, Ruedenberg and Mezey MO localization algorithms. MO theory (dpeaa)DE-He213 MO localization (dpeaa)DE-He213 One electron operators (dpeaa)DE-He213 MO unitary transformations (dpeaa)DE-He213 Elementary Jacobi rotations (dpeaa)DE-He213 Bultinck, Patrick verfasserin aut Enthalten in Journal of mathematical chemistry Dordrecht [u.a.] : Springer Science + Business Media B.V., 1987 43(2007), 3 vom: 06. Juli, Seite 1069-1075 (DE-627)30246879X (DE-600)1491406-2 1572-8897 nnns volume:43 year:2007 number:3 day:06 month:07 pages:1069-1075 https://dx.doi.org/10.1007/s10910-007-9242-x lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA SSG-OPC-MAT SSG-OPC-ASE GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.05 ASE AR 43 2007 3 06 07 1069-1075
allfieldsSound	10.1007/s10910-007-9242-x doi (DE-627)SPR014539578 (SPR)s10910-007-9242-x-e DE-627 ger DE-627 rakwb eng 540 510 ASE 35.05 bkl Carbó-Dorca, Ramon verfasserin aut Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure 2007 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Abstract A general MO localization process based on Elementary Jacobi Rotations is described. The procedure is connected with Boys, Ruedenberg and Mezey MO localization algorithms. MO theory (dpeaa)DE-He213 MO localization (dpeaa)DE-He213 One electron operators (dpeaa)DE-He213 MO unitary transformations (dpeaa)DE-He213 Elementary Jacobi rotations (dpeaa)DE-He213 Bultinck, Patrick verfasserin aut Enthalten in Journal of mathematical chemistry Dordrecht [u.a.] : Springer Science + Business Media B.V., 1987 43(2007), 3 vom: 06. Juli, Seite 1069-1075 (DE-627)30246879X (DE-600)1491406-2 1572-8897 nnns volume:43 year:2007 number:3 day:06 month:07 pages:1069-1075 https://dx.doi.org/10.1007/s10910-007-9242-x lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA SSG-OPC-MAT SSG-OPC-ASE GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2070 GBV_ILN_2086 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2116 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4012 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 35.05 ASE AR 43 2007 3 06 07 1069-1075
language	English
source	Enthalten in Journal of mathematical chemistry 43(2007), 3 vom: 06. Juli, Seite 1069-1075 volume:43 year:2007 number:3 day:06 month:07 pages:1069-1075
sourceStr	Enthalten in Journal of mathematical chemistry 43(2007), 3 vom: 06. Juli, Seite 1069-1075 volume:43 year:2007 number:3 day:06 month:07 pages:1069-1075
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	MO theory MO localization One electron operators MO unitary transformations Elementary Jacobi rotations
dewey-raw	540
isfreeaccess_bool	false
container_title	Journal of mathematical chemistry
authorswithroles_txt_mv	Carbó-Dorca, Ramon @@aut@@ Bultinck, Patrick @@aut@@
publishDateDaySort_date	2007-07-06T00:00:00Z
hierarchy_top_id	30246879X
dewey-sort	3540
id	SPR014539578
language_de	englisch
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author	Carbó-Dorca, Ramon
spellingShingle	Carbó-Dorca, Ramon ddc 540 bkl 35.05 misc MO theory misc MO localization misc One electron operators misc MO unitary transformations misc Elementary Jacobi rotations Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure
authorStr	Carbó-Dorca, Ramon
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topic_title	540 510 ASE 35.05 bkl Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure MO theory (dpeaa)DE-He213 MO localization (dpeaa)DE-He213 One electron operators (dpeaa)DE-He213 MO unitary transformations (dpeaa)DE-He213 Elementary Jacobi rotations (dpeaa)DE-He213
topic	ddc 540 bkl 35.05 misc MO theory misc MO localization misc One electron operators misc MO unitary transformations misc Elementary Jacobi rotations
topic_unstemmed	ddc 540 bkl 35.05 misc MO theory misc MO localization misc One electron operators misc MO unitary transformations misc Elementary Jacobi rotations
topic_browse	ddc 540 bkl 35.05 misc MO theory misc MO localization misc One electron operators misc MO unitary transformations misc Elementary Jacobi rotations
format_facet	Elektronische Aufsätze Aufsätze Elektronische Ressource
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title	Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure
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title_full	Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure
author_sort	Carbó-Dorca, Ramon
journal	Journal of mathematical chemistry
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author_browse	Carbó-Dorca, Ramon Bultinck, Patrick
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class	540 510 ASE 35.05 bkl
format_se	Elektronische Aufsätze
author-letter	Carbó-Dorca, Ramon
doi_str_mv	10.1007/s10910-007-9242-x
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title_sort	mathematical aspects of the lcao mo first order density function (3): a general localization procedure
title_auth	Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure
abstract	Abstract A general MO localization process based on Elementary Jacobi Rotations is described. The procedure is connected with Boys, Ruedenberg and Mezey MO localization algorithms.
abstractGer	Abstract A general MO localization process based on Elementary Jacobi Rotations is described. The procedure is connected with Boys, Ruedenberg and Mezey MO localization algorithms.
abstract_unstemmed	Abstract A general MO localization process based on Elementary Jacobi Rotations is described. The procedure is connected with Boys, Ruedenberg and Mezey MO localization algorithms.
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title_short	Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure
url	https://dx.doi.org/10.1007/s10910-007-9242-x
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doi_str	10.1007/s10910-007-9242-x
up_date	2024-07-04T02:10:46.540Z
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Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure

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