First principles study of the electronic structure and bonding of Mn 2

Journal of Chemical Physics

Volumn 129, Issue 15, 2008, Pages

  Tzeli, Demeter ^a   Miranda, Ulises ^b   Kaplan, Ilya G ^b   Mavridis, Aristides ^c  

^a THEORETICAL AND PHYSICAL CHEMISTRY INSTITUTE   (Greece)

^b INSTITUTO DE INVESTIGACIONES EN MATERIALES   (Mexico)

^c UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; BINDING ENERGY; BINDING SITES; CARBON NANOTUBES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GROUND STATE; MANGANESE; MANGANESE ALLOYS; NUCLEAR ENERGY; POTENTIAL ENERGY; SPIN DYNAMICS; VAN DER WAALS FORCES; VARIATIONAL TECHNIQUES;

BASIS SETS; BOND DISTANCES; CONSISTENT; ENERGY INTERVALS; FIRST EXCITED STATES; FIRST PRINCIPLES STUDIES; MN ATOMS; MOLECULAR STATES; POTENTIAL ENERGY CURVES; RANGING; SPIN MULTIPLICITIES; TOTAL SPIN; VAN DER WAALS; VARIATIONAL CALCULATIONS;

MANGANESE COMPOUNDS;

EID: 54849403742     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2993750     Document Type: Article

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