Quantum-information analysis of electronic states of different molecular structures

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 83, Issue 1, 2011, Pages

  Barcza, G ^a,b   Legeza, O ^a,b   Marti, K H ^c   Reiher, M ^c  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b WIGNER RESEARCH CENTRE FOR PHYSICS   (Hungary)

^c ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPACES; BLACK BOXES; CHEMICAL BONDINGS; CLUSTER STRUCTURE; CONFIGURATION INTERACTIONS; DENSITY MATRIX RENORMALIZATION GROUP; DIOXYGEN BINDING; ENTROPY MEASURE; NETWORK REPRESENTATION; ORBITAL ORDERING; QUANTUM INFORMATION THEORY; SPEED OF CONVERGENCE; STRUCTURAL TRANSITIONS; SYSTEM SIZE; TRANSITION-METAL CLUSTERS;

CHEMICAL BONDS; ELECTRONIC STATES; ELECTRONIC STRUCTURE; INFORMATION THEORY; MOLECULAR ELECTRONICS; MOLECULAR MODELING; MOLECULAR ORBITALS; QUANTUM OPTICS; STATISTICAL MECHANICS; TRANSITION METALS;

MOLECULAR OXYGEN;

EID: 78651459695     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.83.012508     Document Type: Article

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