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035 _a(OCoLC)853364772
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035 _a(OCoLC)ocn853364772
039 9 _a201904121055
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049 _aMAIN
050 4 _aT57.64
_b.S33 2013
072 7 _aMAT
_x041000
_2bisacsh
082 0 4 _a518/.282
_223
100 1 _aSchattke, Wolfgang.
245 1 0 _aQuantum Monte Carlo programming :
_bfor atoms, molecules, clusters, and solids /
_cWolfgang Schattke and Ricardo Díez Muiño.
264 1 _aWeinheim :
_bWiley-VCH,
_c[2013]
264 4 _c©2013
300 _a1 online resource (xii, 279 pages) :
_billustrations
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
504 _aIncludes bibliographical references (pages 269-271) and index.
505 0 _aA First Monte Carlo Example -- Variational Quantum Monte Carlo for a One-Electron System -- Two Electrons with Two Adiabatically Decoupled Nuclei: Hydrogen Molecule -- Three Electrons: Lithium Atom -- Many-Electron Confined Systems -- Many-Electron Atomic Aggregates: Lithium Cluster -- Infinite Number of Electrons: Lithium Solid -- Diffusion Quantum Monte Carlo (DQMC).
520 _aIn one source, this textbook provides quick and comprehensive access to quantitative calculations in materials science. The authors address both newcomers as well as researchers who would like to become familiar with QMC in order to apply to their research. As such, they cover the basic theory required for applying the method, and describe how to transfer this knowledge into calculation. The book includes a series of problems of increasing difficulty with associated stand-alone programs which will be available for free download.
588 0 _aOnline resource; title from PDF title page (Wiley, viewed August 8, 2013).
650 0 _aMonte Carlo method.
650 7 _aMATHEMATICS
_xNumerical Analysis.
_2bisacsh
650 7 _aMonte Carlo method.
_2fast
_0(OCoLC)fst01025819
655 4 _aElectronic books.
700 1 _aDíez Muiño, Ricardo.
773 0 _tWiley e-books
776 0 8 _iPrint version:
_aSchattke, Wolfgang.
_tQuantum Monte-Carlo Programming : For Atoms, Molecules, Clusters, and Solids.
_dHoboken : Wiley, ©2013
_z9783527408511
_w(OCoLC)839317617
856 4 0 _uhttps://eresourcesptsl.ukm.remotexs.co/user/login?url=https://doi.org/10.1002/9783527676729
_zWiley Online Library
907 _a.b16668376
_b2022-11-04
_c2019-11-12
942 _n0
914 _avtls003642157
998 _ae
_b2018-06-12
_cm
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999 _c634973
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