Ostlund / Interscience / New York / HAIBER ET / Washington / DC / Philadelphia / Studi Avanzati / Stuttgart / Centre Europe / Trieste / Lyon / /
Company
IBM / B. / Ringwood A.E. / Ge / McGraw-Hill / Poe / J. (1991) Hydroxyl / Foley / /
Currency
USD / /
Facility
Several stable / University of Tokyo / /
IndustryTerm
electronic ground-state energy / energy barrier / so-called exchange-correlation energy / energy vs. volume / electron gas / condensed matter applications / chemical interactions / chemical potential / energy density / uniform electron gas / favorable absorption site / energy gradient / conjugate site / lowest energy / energy differences / Low-energy absorption sites / energy / large absorption energy difference / absorption site / stable absorption site / lowest energy absorption site / simulation algorithms / kinetic energy / energy cost / kinetic energy contribution / large energy barriers / tetrahedral site / Absorption energy / longrange low-energy paths / electron gas data / chemical and physical properties / lowest energy ones / important absorption site / web address / chemical bonding / low-energy absorption / low-energy positions / high energy barrier / favorable electrostatic energy / /
Organization
Mineralogical Society of America / Business Office / AND MICHELE PARRINELLO Max-Planck-Institut fu¨r Festko¨rperforschung / Centre Europe´en de Calcul Atomique / University of Tokyo / North Atlantic Treaty Organization / American Geophysical Union / Federal Communications Commission / MaxPlanck-Institut fu¨r Festko¨rperforschung / /
American Mineralogist, Volume 82, pages 913–922, 1997 Structure and dynamics of protonated Mg2SiO4: An ab-initio molecular dynamics study