Zobrazeno 1 - 6
of 6
pro vyhledávání: '"G. E. Jabbour"'
Publikováno v:
Modelling and Simulation in Materials Science and Engineering. 4:137-150
We develop a novel first-principle molecular dynamics method based on the discretized path integral formalism of quantum mechanics. This method which includes quantum exchange is used to simulate the behavior of liquid potassium at high temperature.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94b365c3fa36d63662ca2ebcc2ac6e46
https://doi.org/10.1088/0965-0393/4/2/002
https://doi.org/10.1088/0965-0393/4/2/002
Autor:
Pierre A. Deymier, G E Jabbour
Publikováno v:
Modelling and Simulation in Materials Science and Engineering. 2:1111-1121
An expression for the path integral of a single quantum particle in a non-local pseudopotential is derived. This expression is then used to model the behavior of an electron in the potential field of a sodium ion. The amplitude of the 3s and the 3p o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::596d9b63f9543cbc49d99b32b3f24642
https://doi.org/10.1088/0965-0393/2/6/003
https://doi.org/10.1088/0965-0393/2/6/003
Publikováno v:
Modelling and Simulation in Materials Science and Engineering. 1:361-372
We present the use of discretized path integral molecular dynamics in simulating two electrons solvated in molten KCl at high temperatures. In this approach, we use an exact effective potential to simulate the singlet state (antiparallel spins), wher
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db856cf4fc994a2ce223cf9afcae36e1
https://doi.org/10.1088/0965-0393/1/4/002
https://doi.org/10.1088/0965-0393/1/4/002
Publikováno v:
Physical Review B. 71
The electroluminescence (EL)-detected magnetic resonance (ELDMR) of 0, 1, 2.5, 6, and $20\phantom{\rule{0.3em}{0ex}}\mathrm{wt.}\phantom{\rule{0.2em}{0ex}}%$ Pt octaethyl porphyrin (PtOEP)-doped tris(8-hydroxyquinolinate) Al $(\mathrm{Al}{\mathrm{q}}
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2af06b91264be4bdbc8cdc38a7e06603
https://doi.org/10.1103/physrevb.71.235211
https://doi.org/10.1103/physrevb.71.235211
Autor:
G. E. Jabbour
Publikováno v:
NIP & Digital Fabrication Conference. 18:392-392
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::516502e4c180e7149d0d78e51747ae38
https://doi.org/10.2352/issn.2169-4451.2002.18.1.art00095_1
https://doi.org/10.2352/issn.2169-4451.2002.18.1.art00095_1
Autor:
Y. Yoshioka, G. E. Jabbour
Publikováno v:
Advanced Materials; May2006, Vol. 18 Issue 10, p1307-1312, 6p