Minimum-energy configurations of metallic clusters obtained by simulated annealing molecular dynamics using an Extended-Hückel Hamiltonian

Luis Rincón

Minimum-energy configurations of metallic clusters obtained by simulated annealing molecular dynamics using an Extended-Hückel Hamiltonian

Luis Rincón^*

^*Corresponding author for this work

Universidad de Los Andes (ULA)

Research output: Contribution to journal › Article › peer-review

Abstract

Semiempirical simulated annealing molecular dynamics method using a fictitious Lagrangian has been developed for the study of structural and electronic properties of micro-and nano-clusters. As an application of the present scheme, we study the structure of Na_n clusters in the range of n = 2-100, and compared the present calculation with some ab-initio model calculation.

Original language	English
Pages (from-to)	54-58
Number of pages	5
Journal	Revista Mexicana de Fisica
Volume	47
Issue number	SUPPL. 1
State	Published - Mar 2001
Externally published	Yes

Keywords

Clusters
Molecular dynamics
Stability
Structure

Cite this

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title = "Minimum-energy configurations of metallic clusters obtained by simulated annealing molecular dynamics using an Extended-H{\"u}ckel Hamiltonian",

abstract = "Semiempirical simulated annealing molecular dynamics method using a fictitious Lagrangian has been developed for the study of structural and electronic properties of micro-and nano-clusters. As an application of the present scheme, we study the structure of Nan clusters in the range of n = 2-100, and compared the present calculation with some ab-initio model calculation.",

keywords = "Clusters, Molecular dynamics, Stability, Structure",

author = "Luis Rinc{\'o}n",

year = "2001",

month = mar,

language = "Ingl{\'e}s",

volume = "47",

pages = "54--58",

journal = "Revista Mexicana de Fisica",

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T1 - Minimum-energy configurations of metallic clusters obtained by simulated annealing molecular dynamics using an Extended-Hückel Hamiltonian

AU - Rincón, Luis

PY - 2001/3

Y1 - 2001/3

N2 - Semiempirical simulated annealing molecular dynamics method using a fictitious Lagrangian has been developed for the study of structural and electronic properties of micro-and nano-clusters. As an application of the present scheme, we study the structure of Nan clusters in the range of n = 2-100, and compared the present calculation with some ab-initio model calculation.

AB - Semiempirical simulated annealing molecular dynamics method using a fictitious Lagrangian has been developed for the study of structural and electronic properties of micro-and nano-clusters. As an application of the present scheme, we study the structure of Nan clusters in the range of n = 2-100, and compared the present calculation with some ab-initio model calculation.

KW - Clusters

KW - Molecular dynamics

KW - Stability

KW - Structure

UR - https://www.scopus.com/pages/publications/0035635342

M3 - Artículo

AN - SCOPUS:0035635342

SN - 0035-001X

VL - 47

SP - 54

EP - 58

JO - Revista Mexicana de Fisica

JF - Revista Mexicana de Fisica

IS - SUPPL. 1

ER -

Minimum-energy configurations of metallic clusters obtained by simulated annealing molecular dynamics using an Extended-Hückel Hamiltonian

Abstract

Keywords

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