Zobrazeno 1 - 10
of 77
pro vyhledávání: '"D. L. Lynch"'
Autor:
S. H. Subramony, D. L. Lynch
Publikováno v:
The Cerebellum.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::577c49ba502453b29eca584c35020d34
https://doi.org/10.1007/s12311-023-01568-8
https://doi.org/10.1007/s12311-023-01568-8
Publikováno v:
Proceedings of the Water Environment Federation. 2004:542-552
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7c9c38ea112d3c7092de12732736738e
https://doi.org/10.2175/193864704784131473
https://doi.org/10.2175/193864704784131473
Publikováno v:
Physical Review E. 52:6202-6219
Quantum molecular dynamics simulations of pure samples and of mixtures of isotopic hydrogenic species (H, D, T) yield important structural, dynamical, and electronic properties that characterize matter at high compressions (\ensuremath{\rho}\ensurema
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::773709d6811769bdd4aefe69dfe5bbaf
https://doi.org/10.1103/physreve.52.6202
https://doi.org/10.1103/physreve.52.6202
Publikováno v:
Physical Review A. 52:1310-1318
We present results of calculations for {ital e}{sup {minus}}+H{sub 2}{sup +} scattering in the energy regime below the first excited state for resonance symmetries {Sigma} and {Pi}. We employ three distinct and independent methods: close-coupling lin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6ee8ebda12cca20bea3142813517ad8f
https://doi.org/10.1103/physreva.52.1310
https://doi.org/10.1103/physreva.52.1310
Publikováno v:
The Journal of Chemical Physics. 101:7048-7057
We employ a unified molecular dynamics (MD), quantum mechanical approach to simulate the behavior of large collections of atoms at finite temperature. The nuclei are moved according to classical mechanics while the forces are computed via quantum mec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f47cb5fa35400b493504d53d76d55064
https://doi.org/10.1063/1.468330
https://doi.org/10.1063/1.468330
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer. 51:65-75
We have developed a method for modeling a hot, dense, ionized medium through a molecular dynamics simulation for a large collection of atoms. The nuclei are moved according to the classical equations of motion while the forces are determined quantum
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9e597ceef96eb9dbf444e6b7ed33100e
https://doi.org/10.1016/0022-4073(94)90066-3
https://doi.org/10.1016/0022-4073(94)90066-3
Publikováno v:
The Journal of Chemical Physics. 99:8183-8193
The surface diffusion constant for hydrogen and deuterium on the palladium(111) surface is calculated using quantum mechanical transition state theory. The rate constants for diffusion into the subsurface layer are also calculated. Quantum effects ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::986bf8f258f242860d199c8a6facc923
https://doi.org/10.1063/1.465645
https://doi.org/10.1063/1.465645
Publikováno v:
The Journal of Chemical Physics. 97:5177-5181
Recent experiments on the H/Ni(111) system have demonstrated that high‐resolution electron‐energy‐loss spectra of subsurface absorbate species can be observed. We report here molecular‐dynamics simulations for both the H/Ni(111) and H/Pd(111)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::32fdf6110911e801629fea9c719fb203
https://doi.org/10.1063/1.463816
https://doi.org/10.1063/1.463816
Publikováno v:
The Journal of Chemical Physics. 95:3506-3520
Clusters of rare gas atoms provide an interesting setting for the study of the issue of quantum mechanical localization. The properties of these clusters of 2–7 atoms are calculated using variational Monte Carlo methods. To our knowledge, this is t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c3745037416b2c32577cdacdb4d33381
https://doi.org/10.1063/1.460853
https://doi.org/10.1063/1.460853
Autor:
Barry I. Schneider, D. L. Lynch
Publikováno v:
Physical Review A. 43:172-176
We present a numerical method for the solution of the Lippmann-Schwinger equation for electron-molecule collisions. By performing a three-dimensional numerical quadrature, this approach avoids both a basis-set representation of the wave function and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f8cc5cb8875532ad5835dba8644c0d4
https://doi.org/10.1103/physreva.43.172
https://doi.org/10.1103/physreva.43.172