Periodic quantum mechanical simulation of the He-MgO(100) interaction potential

Journal of Chemical Physics

Volumn 134, Issue 1, 2011, Pages

  Martinez Casado, R ^a   Mallia, G ^a   Usvyat, D ^b   Maschio, L ^c   Casassa, S ^c   Schutz M ^b   Harrison, N M ^a,d  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF REGENSBURG   (Germany)

^c UNIVERSITY OF TURIN   (Italy)

^d DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO TECHNIQUES; ATOM SCATTERING; EXPERIMENTAL DATA; GROUND-STATE ENERGIES; HARTREE-FOCK; INTERACTION POTENTIALS; LONG RANGE; MGO(1 0 0); PERIODIC SYSTEM; PLESSET PERTURBATION THEORY; QUANTUM MECHANICAL SIMULATIONS; QUANTUM-MECHANICAL TREATMENTS; SECOND ORDERS; SURFACE INTERACTIONS; WELL DEPTH;

ADSORPTION; DENSITY FUNCTIONAL THEORY; MOLECULAR PHYSICS; QUANTUM CHEMISTRY; QUANTUM THEORY; SURFACE STRUCTURE;

PERTURBATION TECHNIQUES;

HELIUM; MAGNESIUM OXIDE;

ARTICLE; CHEMISTRY; QUANTUM THEORY; SURFACE PROPERTY;

HELIUM; MAGNESIUM OXIDE; QUANTUM THEORY; SURFACE PROPERTIES;

EID: 78651337701     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3517868     Document Type: Article

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