000 | 05402cam a2200745Ma 4500 | ||
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001 | ocn773879103 | ||
003 | OCoLC | ||
005 | 20220713090808.0 | ||
006 | m o d | ||
007 | cr |n||||||||| | ||
008 | 120120s2011 enka fob 001 0 eng d | ||
010 | _z 2011292220 | ||
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020 |
_a9781848167254 _q(electronic bk.) |
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020 | _z9781848167247 | ||
020 | _z1848167245 | ||
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_aQC174.26.W28 _bS65 2011 |
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072 | 7 |
_aSCI _x067000 _2bisacsh |
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082 | 0 | 4 | _a530.1/24 |
049 | _aMAIN | ||
245 | 0 | 0 |
_aSolving the Schrödinger equation : _bhas everything been tried? / _ceditor, Paul Popelier. |
260 |
_aLondon : _bImperial College Press, _c©2011. |
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300 |
_a1 online resource (xix, 354 pages) : _billustrations (some color) |
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336 |
_atext _btxt _2rdacontent |
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337 |
_acomputer _bc _2rdamedia |
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338 |
_aonline resource _bcr _2rdacarrier |
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504 | _aIncludes bibliographical references and index. | ||
505 | 0 | _a1. Intracule functional theory / Deborah L. Crittenden and Peter M.W. Gill -- 2. Explicitly correlated electronic structure theory / Frederick R. Manby -- 3. Solving problems with strong correlation using the Density Matrix Renormalization Group (DMRG) / Garnet Kin-Lic Chan and Sandeep Sharma -- 4. Reduced-density-matrix theory for many-electron correlation / David A. Mazziotti -- 5. Finite size scaling for criticality of the Schrodinger equation / Sabre Kais -- 6. The generalized Sturmian method / James Avery and John Avery -- 7. Slater-type orbital basis sets : reliable and rapid solution of the Schrodinger equation for accurate molecular properties / Philip E. Hoggan -- 8. Modern Ab Initio valence bond methods / Philippe C. Hiberty and Sason Shaik -- 9. Quantum Monte Carlo approaches for tackling electronic correlation / Massimo Mella and Gabriele Morosi -- 10. Solving the Schrodinger equation on real-space grids and with random walks / Thomas L. Beck and Joel H. Dedrick -- 11. Changes in dense linear algebra kernels : decades-long perspective / Piotr Luszczek, Jakub Kurzak, and Jack Dongarra. | |
520 | _aThe Schrodinger equation is the master equation of quantum chemistry. The founders of quantum mechanics realised how this equation underpins essentially the whole of chemistry. However, they recognised that its exact application was much too complicated to be solvable at the time. More than two generations of researchers were left to work out how to achieve this ambitious goal for molecular systems of ever-increasing size. This book focuses on non-mainstream methods to solve the molecular electronic Schrodinger equation. Each method is based on a set of core ideas and this volume aims to explain these ideas clearly so that they become more accessible. By bringing together these non-standard methods, the book intends to inspire graduate students, postdoctoral researchers and academics to think of novel approaches. Is there a method out there that we have not thought of yet? Can we design a new method that combines the best of all worlds? | ||
590 |
_aeBooks on EBSCOhost _bEBSCO eBook Subscription Academic Collection - Worldwide |
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650 | 0 |
_aSchrödinger equation. _9516753 |
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650 | 0 |
_aWave functions. _9294317 |
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650 | 0 |
_aWave mechanics. _9201143 |
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650 | 6 |
_aÉquation de Schrödinger. _9931180 |
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650 | 6 |
_aFonction d'onde. _9980180 |
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650 | 6 |
_aMécanique ondulatoire. _9911576 |
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650 | 7 |
_aSCIENCE _xWaves & Wave Mechanics. _2bisacsh _9872137 |
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650 | 7 |
_aSchrödinger equation. _2fast _0(OCoLC)fst01108121 _9516753 |
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650 | 7 |
_aWave functions. _2fast _0(OCoLC)fst01172873 _9294317 |
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650 | 7 |
_aWave mechanics. _2fast _0(OCoLC)fst01172881 _9201143 |
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655 | 0 | _aElectronic books. | |
655 | 4 | _aElectronic books. | |
700 | 1 |
_aPopelier, Paul L. A. _9294318 |
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776 | 0 | 8 |
_iPrint version: _z9781848167247 _z1848167245 _w(DLC) 2011292220 |
856 | 4 | 0 | _uhttps://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=426426 |
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