Dramatic changes in electronic structure revealed by fractionally charged nuclei

Journal of Chemical Physics

Volumn 140, Issue 4, 2014, Pages

  Cohen, Aron J ^a   Mori Sánchez, Paula ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE;

ELECTRON TRANSPORT; ENERGY DERIVATIVES; FULL CONFIGURATION INTERACTION; MOLECULAR SYSTEMS; NUCLEAR CHARGES; NUMBER OF ELECTRONS; PHYSICAL PROCESS; SIMPLE SYSTEM;

DENSITY FUNCTIONAL THEORY;

EID: 84900399179     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4858461     Document Type: Article

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