Quantum mechanical embedding theory based on a unique embedding potential

Journal of Chemical Physics

Volumn 134, Issue 15, 2011, Pages

  Huang, Chen ^a   Pavone, Michele ^a,b,c   Carter, Emily A ^a,b  

^a PRINCETON UNIVERSITY   (United States)

^b Princeton University   (United States)

^c UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CU(1 1 1); EMBEDDED REGIONS; ENERGY CURVE; HYDROGEN CHAINS; HYDROGEN MOLECULE; KINETIC ENERGY DENSITY FUNCTIONALS; METAL SURFACES; NONUNIQUENESS; OPTIMIZED EFFECTIVE POTENTIAL METHOD; ORBITALS; QUANTUM MECHANICAL; QUANTUM SYSTEM; SPIN-POLARIZED; VAN DER WAALS BINDING; X-RAY EMISSION SPECTRA;

ADSORPTION; BINDING ENERGY; EMISSION SPECTROSCOPY; HYDROGEN; NUCLEAR ENERGY; POTENTIAL ENERGY; QUANTUM ELECTRONICS; QUANTUM OPTICS; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 79955460609     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3577516     Document Type: Article

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