WFRF:(Hone E.)
Sökning: WFRF:(Hone E.) > (2005-2009) > Comparison of Appro...
- 1 av 1
- Föregående post
- Nästa post
- Till träfflistan
| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 02536naa a2200313 4500 | |
| 001 | oai:gup.ub.gu.se/66704 | |
| 003 | SwePub | |
| 008 | 240528s2007 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://gup.ub.gu.se/publication/667042 URI |
| 024 | 7 | a https://doi.org/10.1021/jp075022n2 DOI |
| 040 | a (SwePub)gu | |
| 041 | a eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a ref2 swepub-contenttype |
| 072 | 7 | a art2 swepub-publicationtype |
| 100 | 1 | a Hone, Tyler D4 aut |
| 245 | 1 0 | a Comparison of Approximate Quantum Simulation Methods Applied to Normal Liquid Helium at 4 K |
| 264 | c 2007-11-21 | |
| 264 | 1 | b American Chemical Society (ACS),c 2007 |
| 520 | a The Feynman-Kleinert linearized path integral molecular dynamics (FK-LPI), ring polymer molecular dynamics (RPMD), and centroid molecular dynamics (CMD) methods are applied to the simulation of normal liquid helium. Comparisons of the simulation results at the T = 4 K and = 0.01873 Å-3 state point are presented. The calculated quantum correlation functions for the three methods show significant differences, both in the short time and in the intermediate regions of the spectrum. Our simulation results are also compared to the recent results of other approximate quantum simulation methods. We find that FK-LPI qualitatively agrees with other approximate quantum simulation results while CMD and RPMD predict a qualitatively different impulsive rebound in the velocity autocorrelation function. Frequency space analysis reveals that RPMD exhibits a broad high-frequency tail similar to that from quantum mode coupling theory and numerical analytic continuation approaches, while FK-LPI provides a somewhat more rapid decay at high frequency than any of these three methods. CMD manifests a high-frequency component that is greatly reduced compared with the other methods. | |
| 650 | 7 | a NATURVETENSKAPx Kemix Fysikalisk kemi0 (SwePub)104022 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Chemical Sciencesx Physical Chemistry0 (SwePub)104022 hsv//eng |
| 700 | 1 | a Poulsen, Jens Aage,d 1972u Gothenburg University,Göteborgs universitet,Institutionen för kemi,Department of Chemistry4 aut0 (Swepub:gu)xpouje |
| 700 | 1 | a Rossky, Peter J4 aut |
| 700 | 1 | a Manolopoulos, David E4 aut |
| 710 | 2 | a Göteborgs universitetb Institutionen för kemi4 org |
| 773 | 0 | t The journal of physical chemistry. Bd : American Chemical Society (ACS)g 112:2q 112:2x 1520-6106x 1520-5207 |
| 856 | 4 8 | u https://gup.ub.gu.se/publication/66704 |
| 856 | 4 8 | u https://doi.org/10.1021/jp075022n |
Hitta via bibliotek
- The journal of physical chemistry. B (Sök värdpublikationen i LIBRIS)
Till lärosätets databas
- 1 av 1
- Föregående post
- Nästa post
- Till träfflistan
Hitta mer i SwePub
- Av författaren/redakt...
- Hone, Tyler D
- Poulsen, Jens Aa ...
- Rossky, Peter J
- Manolopoulos, Da ...
- Om ämnet
-
- NATURVETENSKAP
- NATURVETENSKAP
- och Kemi
- och Fysikalisk kemi
- Artiklar i publikationen
- The journal of p ...
- Av lärosätet
- Göteborgs universitet
Sök utanför SwePub
- Sök vidare i:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - Nationella bibliotekssystem
- LIBRIS.kb.se
