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001 272989
003 IT-RoAPU
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008 221201t20221988gw fo d z ger d
020 _a9783112483459
_qprint
020 _a9783112483466
_qPDF
024 7 _a10.1515/9783112483466
_2doi
035 _a(DE-B1597)9783112483466
035 _a(DE-B1597)597730
035 _a(OCoLC)1294425137
040 _aDE-B1597
_beng
_cDE-B1597
_erda
072 7 _aSCI000000
_2bisacsh
084 _aonline - DeGruyter
100 1 _aEschrig, Helmut
_eautore
245 1 0 _aOptimized LCAO Method and the Electronic Structure of Extended Systems /
_cHelmut Eschrig.
250 _aReprint 2021
264 1 _aBerlin ;
_aBoston :
_bDe Gruyter,
_c[2022]
264 4 _c©1988
300 _a1 online resource (228 p.) :
_b80 Figures
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
505 0 0 _tFrontmatter --
_tPreface --
_tCONTENT --
_t1. INTRODUCTION --
_t2. THE LCAO FORMALISM --
_t3. OPTIMIZATION OF THE BASIS --
_t4. WANNIER FUNCTIONS --
_t5. THE LOCAL BASIS REPRESENTATIONS OF THE ELECTRON DENSITY --
_t6. SIMPLEX METHOD FOR k-SPACE INTEGRATION IN d DIMENSIONS --
_t7. POTENTIAL CONSTRUCTION AND ITERATION --
_tAPPENDIX 1. SPHERICAL HARMONIC AND THEIR TRANFSORMATIONS --
_tAPPENDIX 2. SOME USEFUL THEOREMS ON BASIS FUNCTION EXPANSIONS --
_tAPPENDIX 3. RESULTS OF DFT-LCAO BAND STRUCTURE CALCULATIONS FOR ELEMENT METALS --
_tREFERENCES --
_tSUBJECT INDEX
506 0 _arestricted access
_uhttp://purl.org/coar/access_right/c_16ec
_fonline access with authorization
_2star
530 _aIssued also in print.
538 _aMode of access: Internet via World Wide Web.
546 _aIn German.
588 0 _aDescription based on online resource; title from PDF title page (publisher's Web site, viewed 01. Dez 2022)
650 7 _aSCIENCE / General.
_2bisacsh
850 _aIT-RoAPU
856 4 0 _uhttps://doi.org/10.1515/9783112483466
856 4 0 _uhttps://www.degruyter.com/isbn/9783112483466
856 4 2 _3Cover
_uhttps://www.degruyter.com/document/cover/isbn/9783112483466/original
942 _cEB
999 _c272989
_d272989