Density functional theory of the electrical conductivity of molecular devices

Physical Review Letters

Volumn 94, Issue 14, 2005, Pages

  Burke, Kieron ^a   Car, Roberte ^b   Gebauer, Ralph ^c,d  

^a RUTGERS UNIVERSITY   (United States)

^b PRINCETON UNIVERSITY   (United States)

^c ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

^d DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY MATRIX; EXCHANG-CORRELATION (XC); KOHN-SHAM (KS) CALCULATION; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT);

APPROXIMATION THEORY; CORRELATION THEORY; DENSITY (SPECIFIC GRAVITY); ELECTRIC FIELDS; GREEN'S FUNCTION; HAMILTONIANS; ISOTHERMS; MATRIX ALGEBRA; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

ELECTRIC CONDUCTIVITY;

EID: 18144410238     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.94.146803     Document Type: Article

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