Cargando…

Solving the Schrödinger equation : has everything been tried? /

The 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 gene...

Descripción completa

Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Popelier, Paul L. A.
Formato: Electrónico eBook
Idioma:Inglés
Publicado: London : Imperial College Press, ©2011.
Temas:
Acceso en línea:Texto completo

MARC

LEADER 00000cam a2200000Ma 4500
001 EBOOKCENTRAL_ocn773879103
003 OCoLC
005 20240329122006.0
006 m o d
007 cr |n|||||||||
008 120120s2011 enka fob 001 0 eng d
010 |z  2011292220 
040 |a YDXCP  |b eng  |e pn  |c YDXCP  |d CDX  |d N$T  |d E7B  |d UIU  |d STF  |d OCLCQ  |d DEBSZ  |d OCLCQ  |d GA0  |d OCLCF  |d EBLCP  |d OCLCQ  |d LOA  |d AGLDB  |d MOR  |d PIFAG  |d ZCU  |d MERUC  |d OCLCQ  |d U3W  |d WRM  |d OCLCQ  |d VTS  |d COCUF  |d ICG  |d INT  |d VT2  |d OCLCQ  |d WYU  |d OCLCQ  |d DKC  |d OCLCQ  |d LEAUB  |d RDF  |d UKCRE  |d AJS  |d OCLCO  |d OCLCQ  |d OCLCO  |d OCLCL 
019 |a 848042442  |a 858228492  |a 960207377  |a 961492502  |a 962667610  |a 966486950  |a 988453823  |a 992117162  |a 1037736262  |a 1038700709  |a 1055377230  |a 1066617213  |a 1081296849  |a 1086427417  |a 1153478975  |a 1228607214 
020 |a 1848167253  |q (electronic bk.) 
020 |a 9781848167254  |q (electronic bk.) 
020 |z 9781848167247 
020 |z 1848167245 
029 1 |a AU@  |b 000049007325 
029 1 |a AU@  |b 000051590040 
029 1 |a AU@  |b 000058199740 
029 1 |a AU@  |b 000060071922 
029 1 |a DEBBG  |b BV043125898 
029 1 |a DEBBG  |b BV044161529 
029 1 |a DEBSZ  |b 372903908 
029 1 |a DEBSZ  |b 393922588 
029 1 |a DEBSZ  |b 421458925 
029 1 |a DEBSZ  |b 454996438 
035 |a (OCoLC)773879103  |z (OCoLC)848042442  |z (OCoLC)858228492  |z (OCoLC)960207377  |z (OCoLC)961492502  |z (OCoLC)962667610  |z (OCoLC)966486950  |z (OCoLC)988453823  |z (OCoLC)992117162  |z (OCoLC)1037736262  |z (OCoLC)1038700709  |z (OCoLC)1055377230  |z (OCoLC)1066617213  |z (OCoLC)1081296849  |z (OCoLC)1086427417  |z (OCoLC)1153478975  |z (OCoLC)1228607214 
050 4 |a QC174.26.W28  |b S65 2011 
072 7 |a SCI  |x 067000  |2 bisacsh 
082 0 4 |a 530.1/24 
049 |a UAMI 
245 0 0 |a Solving the Schrödinger equation :  |b has everything been tried? /  |c editor, Paul Popelier. 
260 |a London :  |b Imperial College Press,  |c ©2011. 
300 |a 1 online resource (xix, 354 pages) :  |b illustrations (some color) 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
504 |a Includes bibliographical references and index. 
505 0 |a 1. 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 |a The 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 |a eBooks on EBSCOhost  |b EBSCO eBook Subscription Academic Collection - Worldwide 
590 |a ProQuest Ebook Central  |b Ebook Central Academic Complete 
650 0 |a Schrödinger equation. 
650 0 |a Wave functions. 
650 0 |a Wave mechanics. 
650 6 |a Équation de Schrödinger. 
650 6 |a Fonction d'onde. 
650 6 |a Mécanique ondulatoire. 
650 7 |a SCIENCE  |x Waves & Wave Mechanics.  |2 bisacsh 
650 7 |a Schrödinger equation  |2 fast 
650 7 |a Wave functions  |2 fast 
650 7 |a Wave mechanics  |2 fast 
700 1 |a Popelier, Paul L. A. 
758 |i has work:  |a Solving the Schrodinger equation (Text)  |1 https://id.oclc.org/worldcat/entity/E39PCFC9RB9VVvwpkWwTytDcyd  |4 https://id.oclc.org/worldcat/ontology/hasWork 
776 0 8 |i Print version:  |z 9781848167247  |z 1848167245  |w (DLC) 2011292220 
856 4 0 |u https://ebookcentral.uam.elogim.com/lib/uam-ebooks/detail.action?docID=840551  |z Texto completo 
938 |a Coutts Information Services  |b COUT  |n 20691849  |c 81.00 GBP 
938 |a EBL - Ebook Library  |b EBLB  |n EBL840551 
938 |a ebrary  |b EBRY  |n ebr10524552 
938 |a EBSCOhost  |b EBSC  |n 426426 
938 |a YBP Library Services  |b YANK  |n 7073976 
994 |a 92  |b IZTAP