Equilibrium geometries and electronic properties of BenLi (n2-15) clusters from first principles

Chinese Physics B

Volumn 17, Issue 10, 2008, Pages 3687-3695

  Lei, Xue Ling ^a   Zhu, Heng Jiang ^a   Wang, Xian Ming ^a   Luo, You Hua ^b,c  

^a XINJIANG NORMAL UNIVERSITY   (China)

^b EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c HENAN UNIVERSITY   (China)

Author keywords

BenLi clusters; DFT; Electronic property; Lowest energy structure

Indexed keywords

ALKALINE EARTH METALS; BERYLLIUM; BINDING ENERGY; CHARGE TRANSFER; CHEMICAL REACTIVITY; CHEMICAL STABILITY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ION EXCHANGE; PROBABILITY DENSITY FUNCTION;

AVERAGE BINDING ENERGIES; BENLI CLUSTERS; DFT; ENERGY DIFFERENCES; ENERGY STRUCTURES; EQUILIBRIUM GEOMETRIES; FIRST PRINCIPLES; FRAGMENTATION ENERGIES; FUNCTIONAL THEORIES; LITHIUM ATOMS; LOWEST-ENERGY STRUCTURE; METALLIC BONDINGS; VERTEX SITES;

LITHIUM;

EID: 56349096423     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/17/10/026     Document Type: Article

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