Algorithm based on the Thomson problem for determination of equilibrium structures of metal nanoclusters

A new algorithm for the determination of equilibrium structures suitable for metal nanoclusters is proposed. The algorithm performs a stochastic search of the minima associated with the nuclear potential energy function restricted to a sphere (similar to the Thomson problem), in order to guess confi...

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Autores:

Tipo de recurso:

Fecha de publicación:

2017

Institución:

Universidad de Medellín

Repositorio:

Repositorio UDEM

Idioma:

eng

OAI Identifier:

oai:repository.udem.edu.co:11407/4282

Acceso en línea:

http://hdl.handle.net/11407/4282

Palabra clave:

Potential energy functions
Quantum chemistry
Stochastic systems
Equilibrium structures
Gradient Descent method
Initial configuration
Metal nanoclusters
Molecular quantum chemistry
Nuclear positions
Stochastic search
Valence shell electron pair repulsion
Nanoclusters

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http://purl.org/coar/access_right/c_16ec