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035 _a(OCoLC)773879103
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050 4 _aQC174.26.W28
_bS65 2011
072 7 _aSCI
_x067000
_2bisacsh
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.
300 _a1 online resource (xix, 354 pages) :
_billustrations (some color)
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
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
650 0 _aSchrödinger equation.
_9516753
650 0 _aWave functions.
_9294317
650 0 _aWave mechanics.
_9201143
650 6 _aÉquation de Schrödinger.
_9931180
650 6 _aFonction d'onde.
_9980180
650 6 _aMécanique ondulatoire.
_9911576
650 7 _aSCIENCE
_xWaves & Wave Mechanics.
_2bisacsh
_9872137
650 7 _aSchrödinger equation.
_2fast
_0(OCoLC)fst01108121
_9516753
650 7 _aWave functions.
_2fast
_0(OCoLC)fst01172873
_9294317
650 7 _aWave mechanics.
_2fast
_0(OCoLC)fst01172881
_9201143
655 0 _aElectronic books.
655 4 _aElectronic books.
700 1 _aPopelier, Paul L. A.
_9294318
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
938 _aCoutts Information Services
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938 _aEBL - Ebook Library
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