Activation energies for quantum diffusion of hydrogen in metals and on metal surfaces using delocalized nuclei within the density-functional theory

Physical Review Letters

Volumn 92, Issue 15, 2004, Pages

  Sundell, Per G ^a   Wahnström, Göran ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; APPROXIMATION THEORY; COPPER; DIFFUSION; ELECTRONIC STRUCTURE; HYDROGEN; LATTICE CONSTANTS; MATRIX ALGEBRA; NIOBIUM; NUCLEAR MAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION; SCANNING TUNNELING MICROSCOPY; TANTALUM;

BORN-OPPENHEIMER APPROXIMATION; COINCIDENCE ENERGY; POTENTIAL ENERGY SURFACES (PES); QUANTUM DIFFUSION;

QUANTUM THEORY;

EID: 2542492567     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.92.155901     Document Type: Article

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