chemical applications / chemical accuracy / Energy minimisations / similar systems / analytical solution / molecular and condensed phase systems / infinite systems / rare gas behaviour / molecular and solid systems / energy surfaces / model systems / potential energy / uniform electron gas / exchange-correlation energy / potential energy surfaces / simpler systems / rare gas atoms / kinetic energy density / chemical bonding / fission products / electronic systems / molecular systems / energy differences / cohesive energy / numerical solution / energy / /
Organization
European Commission / /
Person
David Parfitt / Clare Bishop / Laurent Van Brutzel / Alain Chartier / Marjorie Bertolus / Guillaume Martin / G. Van Goethem / Michel Freyss / Robin Grimes / Boris Dorado / Matthias Krack / /
Position
Author / description First author WP leader Domain leader Coordinator / Short description First author WP leader Domain leader / systems EC Scientific Officer / /
Microsoft Word - F-BRIDGE - D221 - revision 0 - Assessment of atomistic modeling methods - v8 validated.doc