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¿Qué tan cuántica es la química cuántica?How quantum is quantum chemistry?
(Universidad Nacional de QuilmesUniversidad Nacional de Tres de Febrero, 2019-04-01)
El propósito del presente trabajo será poner de manifiesto que la química cuántica es una disciplina basada primariamente en modelos, y no en teorías que establecen un marco conceptual específico y autónomo. Esta característica ...
Estados ligados de um sistema quântico de três de corpos em duas dimensões na aproximação Born-Oppenheimer
(Universidade Estadual Paulista (Unesp), 2016-07-29)
In this thesis we study mass-imbalanced three-body system in two dimensions using BornOppenheimer approximation. Considering the heavy-light particle system interacting through zero-range interaction and disregarding ...
Estados ligados de um sistema quântico de três de corpos em duas dimensões na aproximação Born-Oppenheimer
(Universidade Estadual Paulista (UNESP), 2016)
Particle correlation from uncorrelated non Born-Oppenheimer SCF wavefunctions
(Springer, 2012-12-29)
We analyse a nonadiabatic self-consistent field method by means of an exactly-solvable model. The method is based on nuclear and electronic orbitals that are functions of the cartesian coordinates in the laboratory-fixed ...
Three-body molecular states of the LiH2+ system in the Born–Oppenheimer approximation
(John Wiley & Sons Inc, 2018-08)
In this work, we present a quantum mechanical treatment of the three-body (Formula presented.) molecular system in the Born–Oppenheimer (BO) approximation, were the nuclei dynamics is evaluated over the potential energy ...
Extended lagrangian born-oppenheimer molecular dynamics with dissipation
(AMERICAN INSTITUTE OF PHYSICS, 2009)
The Born-Oppenheimer approximation in an effective field theory framework
(2018-01-01)
The Born-Oppenheimer approximation is the standard method for the studying atoms and molecules. It is founded on the observation that the energy scale of the electron dynamics in a molecule is larger than that of the nuclei. ...