Electronic-nuclear entanglement in H2+: Schmidt decomposition of non-Born-Oppenheimer wave functions expanded in nonorthogonal basis sets

We compute the entanglement between the electronic and vibrational motions in the simplest molecular system, the hydrogen molecular ion, considering the molecule as a bipartite system, electron and vibrational motion. For that purpose we compute an accurate total non-Born-Oppenheimer wave function i...

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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:11407/4272

Acceso en línea:

http://hdl.handle.net/11407/4272

Palabra clave:

Domain decomposition methods
Excited states
Geometry
Information theory
Ion sources
Quantum optics
Quantum theory
Wave functions
Electronic excitation
Hydrogen molecular ion
Non-Born Oppenheimer
Nonorthogonal basis
Nuclear wave functions
Quantum information theory
Schmidt decomposition
Vibrational motions
Quantum entanglement

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