Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Michele A. McMahon"'
Publikováno v:
The Journal of Chemical Physics. 104:5080-5093
Recent quantum Monte Carlo studies of doped helium clusters have yielded different results for the location of the SF6 impurity, despite good agreement on helium density profiles, thus raising the question of wave function bias on structural properti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::703efb0d809261c66b864ce7c1b39729
https://doi.org/10.1063/1.471668
https://doi.org/10.1063/1.471668
Publikováno v:
The Journal of Chemical Physics. 104:2669-2683
Recent quantum Monte Carlo calculations of small quantum clusters have shown that it is feasible to study their rotationally excited states directly. [M. A. McMahon, R. N. Barnett, and K. B. Whaley, J. Chem. Phys. 99, 8816 (1993).] We extend this wor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::faa487d6f6fbb445d392c75b2427049e
https://doi.org/10.1063/1.470989
https://doi.org/10.1063/1.470989
Publikováno v:
Zeitschrift f�r Physik B Condensed Matter. 98:421-428
We examine the effects of impurities (“doping”) and rotational excitation on the structural and energetic properties of helium clusters. Quantum Monte Carlo (QMC) techniques are used to study ground and rotationally excited states of pure and dop
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::53ea83d0bf404117591067d46c91eebd
https://doi.org/10.1007/bf01338418
https://doi.org/10.1007/bf01338418
Autor:
K. Birgitta Whaley, Michele A. McMahon
Publikováno v:
The Journal of Chemical Physics. 103:2561-2571
We investigate ground and rotationally excited states of HeNCl2 (N=1,6,20) using variational (VMC) and diffusion Monte Carlo (DMC). The structure of these clusters is dominated by the He–Cl2 interaction, which has a well depth of about 30 K and a m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::77865072e64c2e0f0acb198e7f70c8ee
https://doi.org/10.1063/1.469678
https://doi.org/10.1063/1.469678
Autor:
Du Hung Lam, C.L. Beach, Lewis R. Silverman, Rami S. Komrokji, Guillermo Garcia-Manero, Stefan Faderl, Ghulam J. Mufti, John F. Seymour, Pierre Fenaux, Michele Sharr-McMahon
Publikováno v:
Journal of Clinical Oncology. 34:TPS7078-TPS7078
TPS7078Background: Whileparenteral hypomethylating agents (HMAs) induce hematologic response in ~50% of pts with IPSS higher-risk MDS, options are very limited for nonresponding pts who are at high...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::152eb74d3c871dc88652a765fd6f7937
https://doi.org/10.1200/jco.2016.34.15_suppl.tps7078
https://doi.org/10.1200/jco.2016.34.15_suppl.tps7078
Autor:
Michele A. McMahon, K. Birgitta Whaley
Publikováno v:
Chemical Physics. 182:119-130
We present ground-state results for (H2)N clusters, N = 6, 7, 13, and 33, obtained by variational and diffusion Monte Carlo. Optimized trial wavefunctions are used which fully incorporate Bose statistics. Included are kinetic, potential, and total en
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d6f75a9935dbb13313cbea456e160241
https://doi.org/10.1016/0301-0104(94)00041-7
https://doi.org/10.1016/0301-0104(94)00041-7
Publikováno v:
The Journal of Chemical Physics. 99:8816-8829
We have studied the quantum clusters, He7 and (H2)7, in their ground (L=0) and rotationally excited states (L=2–8 for He and L=2–12 for H2) by variational Monte Carlo, and selectively by diffusion Monte Carlo. The optimized trial wave functions a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7e608eacf13985f3032f0dc2c46f5da6
https://doi.org/10.1063/1.465550
https://doi.org/10.1063/1.465550