Prediction of exchange coupling constant for Mn12 molecular magnet using Dft+U

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Volumn 5545 LNCS, Issue PART 2, 2009, Pages 151-159

  Gangopadhyay, Shruba ^a   Masunov, Artëm E ^a   Poalelungi, Eliza ^a,b   Leuenberger, Michael N ^a  

^a UNIVERSITY OF CENTRAL FLORIDA   (United States)

^b ALEXANDRU IOAN CUZA UNIVERSITY OF IASI   (Romania)

Author keywords

DFT+U; Heisenberg exchange constant; Magnetic Wheel; Molecular magnet; Molecular spintronics; Quantum computing

Indexed keywords

DFT+U; HEISENBERG EXCHANGE CONSTANT; MAGNETIC WHEEL; MOLECULAR MAGNET; MOLECULAR SPINTRONICS; QUANTUM COMPUTING;

COMPUTER SCIENCE; EXCHANGE COUPLING; MAGNETIC COUPLINGS; MAGNETS; MANGANESE; MANGANESE COMPOUNDS; NANOTECHNOLOGY; PROBABILITY DENSITY FUNCTION; QUANTUM COMPUTERS; QUANTUM THEORY; WHEELS;

DENSITY FUNCTIONAL THEORY;

EID: 70149089722     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-642-01973-9_17     Document Type: Conference Paper

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