Cargando…
Recent advances in quantum Monte Carlo methods /
The quantum Monte Carlo (QMC) method is gaining interest as a complement to basis set ab initio methods in cases where high accuracy computation of atomic and molecular properties is desired. This volume focuses on recent advances in this area. QMC as used here refers to methods that directly solve...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore ; River Edge, NJ :
World Scientific,
©1997.
|
| Colección: | Recent advances in computational chemistry ;
v. 2. |
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
| LEADER | 00000cam a2200000 a 4500 | ||
|---|---|---|---|
| 001 | EBSCO_ocn813846502 | ||
| 003 | OCoLC | ||
| 005 | 20231017213018.0 | ||
| 006 | m o d | ||
| 007 | cr cnu---unuuu | ||
| 008 | 121022s1997 si a ob 000 0 eng d | ||
| 040 | |a N$T |b eng |e pn |c N$T |d IDEBK |d MHW |d EBLCP |d OCLCQ |d OCLCF |d OCLCQ |d DEBSZ |d YDXCP |d S4S |d OCLCQ |d AGLDB |d OCLCQ |d VTS |d REC |d STF |d AU@ |d OCLCO |d M8D |d UKAHL |d OCLCA |d OCLCQ |d LEAUB |d AJS |d OCLCO |d OCLCQ |d OCLCO |d OCLCQ |d OCLCO | ||
| 019 | |a 813396000 |a 817818988 |a 819616279 |a 821831608 |a 1086417756 | ||
| 020 | |a 9789812819710 |q (electronic bk.) | ||
| 020 | |a 9812819711 |q (electronic bk.) | ||
| 020 | |a 6613948314 | ||
| 020 | |a 9786613948311 | ||
| 020 | |a 1283635852 | ||
| 020 | |a 9781283635851 | ||
| 020 | |z 9810230095 | ||
| 020 | |z 9789810230098 | ||
| 029 | 1 | |a AU@ |b 000051570982 | |
| 029 | 1 | |a DEBBG |b BV043137744 | |
| 029 | 1 | |a DEBSZ |b 37933030X | |
| 029 | 1 | |a DEBSZ |b 421330244 | |
| 029 | 1 | |a GBVCP |b 804133220 | |
| 035 | |a (OCoLC)813846502 |z (OCoLC)813396000 |z (OCoLC)817818988 |z (OCoLC)819616279 |z (OCoLC)821831608 |z (OCoLC)1086417756 | ||
| 050 | 4 | |a QD462 |b .R44 1997eb | |
| 072 | 7 | |a SCI |x 013050 |2 bisacsh | |
| 072 | 7 | |a PHFC |2 bicssc | |
| 082 | 0 | 4 | |a 541.2801519282 |2 22 |
| 084 | |a SK 840 |2 rvk | ||
| 084 | |a UK 1200 |2 rvk | ||
| 084 | |a VC 6100 |2 rvk | ||
| 049 | |a UAMI | ||
| 245 | 0 | 0 | |a Recent advances in quantum Monte Carlo methods / |c edited by William A. Lester, Jr. |
| 260 | |a Singapore ; |a River Edge, NJ : |b World Scientific, |c ©1997. | ||
| 300 | |a 1 online resource (vii, 235 pages) : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 1 | |a Recent advances in computational chemistry ; |v v. 2 | |
| 588 | 0 | |a Print version record. | |
| 520 | |a The quantum Monte Carlo (QMC) method is gaining interest as a complement to basis set ab initio methods in cases where high accuracy computation of atomic and molecular properties is desired. This volume focuses on recent advances in this area. QMC as used here refers to methods that directly solve the Schrödinger equation, for example, diffusion and Green's function Monte Carlo, as well as variational Monte Carlo. The latter is an approach to computing atomic and molecular properties by the Monte Carlo method that has fundamental similarities to basis set methods with the exception that the limitation to one-particle basis functions to facilitate integral evaluation is avoided. This feature makes possible the consideration of many-body wave functions containing explicitly interparticle distances - a capability common to all variants of QMC. | ||
| 505 | 0 | |a 1. Analytical wavefunctions from quantum Monte Carlo simulations / D. Bressannini [and others] -- 2. Quantum Monte Carlo: Direct determination of the difference between true and trial wavefunctions / J.B. Anderson, A. Luechow, and M. Mella -- 3. Atomic calculations using variational Monte Carlo / S.A. Alexander and R.L. Coldwell -- 4. Recent progress in QMC simulations of systems with multiple time scales: Hybrid nonadiabatic QMC / D. Bressannini and P.J. Reynolds -- 5. Quantum Monte Carlo calculations with multi-reference trial wave functions / H.-J. Flad, M. Caffarel, and A. Savin -- 6. Quantum Monte Carlo calculation of atoms and molecules / K. Iguchi -- 7. Quantum Monte Carlo with pseudopotentiais for electronic structure of atoms and molecules / C.W. Greeff, W.A. Lester, Jr., and B.L. Hammond -- 8. Quantum Monte Carlo study of Si and C molecular systems / L. Mitas and J.C. Grossman -- 9. Positrons: A challenge and opportunity for QMC / D.M. Schrader -- 10. All-electron Monte Carlo calculations of heavy atom systems / S.M. Rothstein -- 11. Quantum Monte Carlo method with model potentials / T. Yoshida -- 12. Monte Carlo optimization of trial wave functions in quantum mechanics and statistical mechanics / M.P. Nightingale and C.J. Umrigar. | |
| 504 | |a Includes bibliographical references. | ||
| 590 | |a eBooks on EBSCOhost |b EBSCO eBook Subscription Academic Collection - Worldwide | ||
| 650 | 0 | |a Monte Carlo method. | |
| 650 | 0 | |a Quantum chemistry. | |
| 650 | 6 | |a Méthode de Monte-Carlo. | |
| 650 | 6 | |a Chimie quantique. | |
| 650 | 7 | |a SCIENCE |x Chemistry |x Physical & Theoretical. |2 bisacsh | |
| 650 | 7 | |a Monte Carlo method |2 fast | |
| 650 | 7 | |a Quantum chemistry |2 fast | |
| 650 | 7 | |a Aufsatzsammlung |2 gnd | |
| 650 | 7 | |a Monte-Carlo-Simulation |2 gnd | |
| 650 | 7 | |a Quantenchemie |2 gnd | |
| 650 | 7 | |a Quantenmechanik |2 gnd | |
| 700 | 1 | |a Lester, W. A. | |
| 776 | 0 | 8 | |i Print version: |t Recent advances in quantum Monte Carlo methods. |d Singapore ; River Edge, NJ : World Scientific, ©1997 |z 9810230095 |w (OCoLC)154009601 |
| 830 | 0 | |a Recent advances in computational chemistry ; |v v. 2. | |
| 856 | 4 | 0 | |u https://ebsco.uam.elogim.com/login.aspx?direct=true&scope=site&db=nlebk&AN=491527 |z Texto completo |
| 938 | |a Askews and Holts Library Services |b ASKH |n AH24433097 | ||
| 938 | |a ProQuest Ebook Central |b EBLB |n EBL1044386 | ||
| 938 | |a EBSCOhost |b EBSC |n 491527 | ||
| 938 | |a ProQuest MyiLibrary Digital eBook Collection |b IDEB |n 394831 | ||
| 938 | |a YBP Library Services |b YANK |n 9782177 | ||
| 938 | |a YBP Library Services |b YANK |n 2889227 | ||
| 994 | |a 92 |b IZTAP | ||